SCHEMBL9018940

SCHEMBL9018940

Cc1cc(C)c(-c2nn[nH]c2[N+](=O)[O-])c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
GPR35 Q9HC97 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2890302 0.76
SCHEMBL7749941 0.75 ACHE (0.41) TSHRMEN1KMT2ALMNAMAPT
SCHEMBL7749946 0.73 HSD17B10 (0.41) TSHRMEN1KMT2ALMNAMAPT
SCHEMBL9619528 0.73 RAPGEF4 (0.42) TSHRMEN1KMT2AGRIN2DGRIN3B
SCHEMBL3201750 0.70 ALDH1A1 (0.36) TSHRLMNAMAPTALDH1A1CYP2C9
SCHEMBL28590124 0.70 ALDH1A1 (0.33) ALDH1A1CYP2C9KDM4E
SCHEMBL5281912 0.69
SCHEMBL1260158 0.68 MAPT (0.45) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL5277062 0.65
SCHEMBL991861 0.65 MAPT (0.39) TSHRMEN1KMT2AGRIN2DGRIN3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545564-A EXPRESSION AND SECRETION OF BETA-UROGASTRONE EARTH CHEMICAL COMPANY, LTD. (JP) 1996-08-13 US disclosed
EP-0207165-B1 POLYPEPTIDE SECRETION-CAUSING VECTOR, MICROORGANISMS TRANSFORMED BY SAID VECTOR, AND PROCESS FOR PREPARING POLYPEPTIDE USING SAID MICROORGANISMS EARTH CHEMICAL CO., LTD. (JP) 1993-04-21 EP disclosed
EP-0207165-A1 POLYPEPTIDE SECRETION-CAUSING VECTOR, MICROORGANISMS TRANSFORMED BY SAID VECTOR, AND PROCESS FOR PREPARING POLYPEPTIDE USING SAID MICROORGANISMS EARTH CHEMICAL CO., LTD. (JP) 1987-01-07 EP disclosed