SCHEMBL9645447

SCHEMBL9645447

CCOC(=O)c1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
HSD17B10 Q99714 6/20 0.56
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MAPT P10636 5/20 0.52
HPGD P15428 4/20 0.52
GAA P10253 2/20 0.52
ALOX15 P16050 1/20 0.52
NPC1 O15118 3/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 2/20 0.46
ATM Q13315 2/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 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
SCHEMBL559271 0.82 ALDH1A1 (0.58) ALDH1A1HSD17B10RAB9ASMN1; SMN2MAPT
SCHEMBL9645683 0.82 HSD17B10 (0.49) ALDH1A1HSD17B10RAB9ASMN1; SMN2MAPT
SCHEMBL2896486 0.81 ALDH1A1 (0.62) ALDH1A1HSD17B10SMN1; SMN2MAPTHPGD
SCHEMBL9645415 0.81 HSD17B10 (0.48) ALDH1A1HSD17B10RAB9ASMN1; SMN2MAPT
SCHEMBL9645771 0.81 ALDH1A1 (0.51) ALDH1A1HSD17B10RAB9ASMN1; SMN2MAPT
SCHEMBL31570114 0.79 ALDH1A1 (0.64) ALDH1A1HSD17B10RAB9ASMN1; SMN2MAPT
SCHEMBL12991540 0.79 TSHR (0.58) ALDH1A1HSD17B10RAB9ASMN1; SMN2MAPT
SCHEMBL10597819 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10RAB9ASMN1; SMN2MAPT
SCHEMBL14019810 0.78 MEN1 (0.64) ALDH1A1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL13410648 0.78 MEN1 (0.64) ALDH1A1RAB9ASMN1; SMN2MAPTGAA

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
EP-0346713-B1 BENZAMIDINES USEFUL AS ULTRAVIOLET LIGHT ABSORBERS L. GIVAUDAN & CIE Société Anonyme (CH) 1992-09-16 EP disclosed
US-5011628-A N,N'-diarylbenzamidines useful as ultraviolet light absorbers GIVAUDAN CORPORATION (US) 1991-04-30 US disclosed