SCHEMBL9712486

SCHEMBL9712486

Cc1ccc([C]=O)c([N+](=O)[O-])c1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 7/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 3/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 2/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ACHE P22303 1/20 0.33
TP53 P04637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9712485 0.81 ALDH1A1 (0.42) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL3192684 0.79 ALDH1A1 (0.62) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL2353914 0.77 ALDH1A1 (0.67) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL4427648 0.76 ALDH1A1 (0.71) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL9712353 0.74 TSHR (0.38) ALDH1A1TDP1TSHRCYP3A4GRIN2D
SCHEMBL29720508 0.74 TSHR (0.59) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL1369756 0.74 TSHR (0.59) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL28340823 0.73 TDP1 (0.41) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL11594465 0.73 ALDH1A1 (0.48) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL6858240 0.72 MCL1 (0.49) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed
US-4303796-A 16-Phenoxy prostaglandin F2α analogs THE UPJOHN COMPANY (US) 1981-12-01 US disclosed
US-4235779-A Bicyclic lactones THE UPJOHN COMPANY (US) 1980-11-25 US disclosed
US-4212811-A Bicyclic lactone intermediates THE UPJOHN COMPANY (US) 1980-07-15 US disclosed
US-4154950-A PROSTAGLANDIN, WOUND HEALING AGENTS, OXYTOCICS, ANTIULCER AGENTS, ANTICOAGULANT, DECONGESTANT THE UPJOHN COMPANY (US) 1979-05-15 US disclosed
US-4116988-A 16-Phenoxy prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1978-09-26 US disclosed
US-4116989-A 16-Phenoxy prostaglandin F1α analogs THE UPJOHN COMPANY (US) 1978-09-26 US disclosed
US-4100355-A 8β,12α-PGE2 -type compounds THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097675-A 8β, 12α, 15β-PGF2α Compounds THE UPJOHN COMPANY (US) 1978-06-27 US disclosed
US-4096342-A 8β,12α,15β-PGE2 compounds THE UPJOHN COMPANY (US) 1978-06-20 US disclosed
US-3969379-A 13,14-Dihydro-16-fluoro prostaglandin A1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969381-A 13,14-Dihydro-16-fluoro prostaglandin B1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969380-A 16-Fluoro prostaglandin F2 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969378-A 16-Fluoro prostaglandin A2 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969376-A 13,14-Dihydro-16-fluoro prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969377-A 16-Fluoro prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3965118-A Lactone intermediates THE UPJOHN COMPANY (US) 1976-06-22 US disclosed
US-3962293-A 13,14-Dihydro-16-fluoro prostaglandin F1 THE UPJOHN COMPANY (US) 1976-06-08 US disclosed
US-3954833-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-05-04 US disclosed
US-3933889-A 4,5-Cis-didehydro-PGF1.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-20 US disclosed