SCHEMBL17826979

SCHEMBL17826979

CCc1ccc(-c2ccc(Cl)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 3/20 0.43
HTR2A P28223 5/20 0.40
MCHR1 Q99705 4/20 0.40
CHRM1 P11229 3/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CASP1 P29466 1/20 0.37
SLC22A1 O15245 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL24046966 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL17184668 0.81 NPC1 (0.39) SMN1; SMN2NPC1RAB9AMAPTHTR2A
SCHEMBL17826983 0.81 NPC1 (0.47) SMN1; SMN2NPC1RAB9AMAPTHTR2A
SCHEMBL17184615 0.81 KEAP1 (0.40) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL17826990 0.80 AHR (0.43) MAPTLMNAALDH1A1NOTUMKDM4E
SCHEMBL12963905 0.80 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL27738907 0.78 MCHR1 (0.47) SMN1; SMN2NPC1RAB9AMAPTHTR2A
SCHEMBL17826982 0.78 MAPT (0.56) SMN1; SMN2NPC1RAB9AMAPTHTR2A
SCHEMBL15262927 0.77 LMNA (0.33) SMN1; SMN2NPC1RAB9ACHRM1LMNA
SCHEMBL17826984 0.76 CYP1A2 (0.44) CASP1CYP1A2PDE4DKCNH2

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-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed