SCHEMBL11241782

SCHEMBL11241782

Nc1ccccc1C(N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
ALOX15 P16050 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
F2 P00734 1/20 0.41
TSHR P16473 5/20 0.39
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL11774848 0.82 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL2915839 0.81 F2 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL8663854 0.80 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL1061130 0.80 CYP3A4 (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL16512108 0.80 CYP3A4 (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL6201553 0.80 CYP3A4 (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL901197 0.79 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL29438231 0.79 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL23073315 0.78 CYP3A4 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL19337099 0.78 CYP3A4 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006243-B1 COLOUR PHOTOGRAPHIC RECORDING MATERIAL, COLOUR PHOTOGRAPHIC PROCESS FOR PRODUCING A YELLOW IMAGE, YELLOW COUPLER AND PROCESS FOR PRODUCTION OF YELLOW COUPLERS CIBA-GEIGY AG (CH) 1982-02-03 EP disclosed