SCHEMBL9880989

SCHEMBL9880989

Sc1ccc2cccc(Nc3ccccc3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HPGD P15428 3/20 0.65
CYP3A4 P08684 2/20 0.65
HSD17B10 Q99714 2/20 0.65
ATM Q13315 2/20 0.65
CDC25B P30305 2/20 0.65
TP53 P04637 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
MAPT P10636 6/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 4/20 0.55
GAA P10253 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
GLA P06280 1/20 0.55
RECQL P46063 1/20 0.55
FADS1 O60427 1/20 0.50
RAB9A P51151 2/20 0.45
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL3403976 0.81 ALDH1A1 (0.73) ALDH1A1HPGDCYP3A4HSD17B10ATM
SCHEMBL28541862 0.79 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4HSD17B10ATM
SCHEMBL9906994 0.79 HPGD (0.65) ALDH1A1HPGDCYP3A4HSD17B10ATM
SCHEMBL11151913 0.79 TRPV1 (0.66) ALDH1A1HPGDCYP3A4HSD17B10ATM
SCHEMBL19796 0.79 ALDH1A1 (1.00) ALDH1A1HPGDCYP3A4HSD17B10ATM
SCHEMBL29350230 0.79 ALDH1A1 (1.00) ALDH1A1HPGDCYP3A4HSD17B10ATM
SCHEMBL2848293 0.78 ALDH1A1 (0.68) ALDH1A1HPGDCYP3A4HSD17B10ATM
Hydrochloric Acid SCHEMBL7408656 0.77 ALDH1A1 (0.96) ALDH1A1HPGDCYP3A4HSD17B10ATM
Ammonia Solution, Strong SCHEMBL20918916 0.77 ALDH1A1 (0.96) ALDH1A1HPGDCYP3A4HSD17B10ATM
Diphenylamine SCHEMBL1072941 0.77 ALDH1A1 (0.96) ALDH1A1HPGDCYP3A4HSD17B10ATM

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-RE43560-E1 Positive photosensitive compositions FUJIFILM CORPORATION (JP) 2012-07-31 US disclosed
EP-1091248-B1 Postive-working resist composition FUJIFILM CORP (JP) 2012-05-30 EP disclosed
EP-1788432-A1 POSITIVE RESIN COMPOSITION OF NEAR-INFRARED-RAY ACTIVATION TYPE Kansai Paint Co., Ltd. (JP) 2007-05-23 EP disclosed