SCHEMBL3638475

SCHEMBL3638475

Cc1cn2cc(-c3ccc(Cl)c(Cl)c3)nc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.53
SMN1; SMN2 Q16637 11/20 0.48
MAPT P10636 6/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP19A1 P11511 1/20 0.48
HPGD P15428 1/20 0.48
KMO O15229 1/20 0.43
TP53 P04637 7/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3667189 0.83 SMN1; SMN2 (0.57) F2RL3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3667489 0.81 F2RL3 (0.54) F2RL3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL12997562 0.80 SMN1; SMN2 (0.57) F2RL3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3640832 0.79 CYP19A1 (0.48) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL1986921 0.77 SMN1; SMN2 (0.57) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL1691406 0.77 TP53 (0.57) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL22893462 0.77 TP53 (0.61) F2RL3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL22893463 0.77 CYP19A1 (0.51) F2RL3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL11030523 0.76 TP53 (0.59) F2RL3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1691500 0.75 CYP19A1 (0.57) SMN1; SMN2MAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167508-A1 COMPOUNDS FOR TREATING DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2010-03-31 EP claimed
WO-2009013477-A1 COMPOUNDS FOR TREATING DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-01-29 WO claimed
EP-2167508-A1 COMPOUNDS FOR TREATING DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2010-03-31 EP disclosed
WO-2009013477-A1 COMPOUNDS FOR TREATING DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-01-29 WO disclosed