SCHEMBL9976445

SCHEMBL9976445

Cc1ccc(NC(=O)c2cc(Cl)cc(O)c2N)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.57
NPC1 O15118 6/20 0.57
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 4/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 3/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SORT1 Q99523 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
F10 P00742 1/20 0.50
MITF O75030 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.48

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
SCHEMBL2989305 0.88 RAB9A (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL2983083 0.85 SORT1 (0.53) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL9979763 0.84 RAB9A (0.50) RAB9ANPC1KDM4ESMN1; SMN2TP53
SCHEMBL3160357 0.82 POLB (0.67) RAB9ANPC1ALDH1A1POLBKDM4E
SCHEMBL6261356 0.80 RAB9A (0.64) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2984797 0.78 SORT1 (0.62) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19651332 0.77 KDM4E (0.70) RAB9ANPC1ALDH1A1POLBKDM4E
SCHEMBL6595792 0.77 F10 (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL6592032 0.76 RAB9A (0.56) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8355348 0.76 F10 (0.65) RAB9ANPC1ALDH1A1POLBKDM4E

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
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed