SCHEMBL9464633

SCHEMBL9464633

COc1ccc(Cc2c(C)n[nH]c2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
AR P10275 1/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
ATM Q13315 2/20 0.49
ALDH1A1 P00352 5/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP2D6 P10635 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MPI P34949 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
COMT P21964 1/20 0.46
LTA4H P09960 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL1682189 0.84 SLC5A1 (0.53) LMNASMN1; SMN2ARMEN1KMT2A
SCHEMBL21274894 0.84 ALDH1A1 (0.58) LMNASMN1; SMN2ARSLC5A1SLC5A2
SCHEMBL3633161 0.84 ALDH1A1 (0.50) LMNASMN1; SMN2ARMEN1KMT2A
SCHEMBL13313003 0.82 LMNA (0.66) LMNASMN1; SMN2ARMEN1KMT2A
SCHEMBL26100801 0.79 LMNA (0.62) LMNASMN1; SMN2ARMEN1KMT2A
SCHEMBL22197860 0.79 MEN1 (0.62) LMNASMN1; SMN2ARMEN1KMT2A
SCHEMBL4230856 0.79 LMNA (0.62) LMNASMN1; SMN2ARMEN1KMT2A
SCHEMBL17156328 0.79 SLC5A2 (0.52) LMNASMN1; SMN2ARSLC5A1SLC5A2
SCHEMBL1774454 0.79 LMNA (0.66) LMNASMN1; SMN2ARMEN1KMT2A
SCHEMBL21274861 0.78 PTGS1 (0.45) LMNASMN1; SMN2ARMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210169-A Polyisocyanates blocked with pyrazole or indazole derivatives, polyamine hardener, good reactivity and shelf stability CIBA-GEIGY CORPORATION (US) 1993-05-11 US disclosed
EP-0500495-A2 Thermosetting composition CIBA-GEIGY AG (CH) 1992-08-26 EP disclosed