SCHEMBL10459643

SCHEMBL10459643

CCCCCCCc1ccc(-c2ccc(-c3ccc(CCC)cn3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.76
SMN1; SMN2 Q16637 9/20 0.76
NPC1 O15118 7/20 0.76
MAPT P10636 5/20 0.76
STAT3 P40763 1/20 0.76
ATM Q13315 1/20 0.76
L3MBTL1 Q9Y468 2/20 0.69
CASP3 P42574 2/20 0.69
SENP8 Q96LD8 2/20 0.69
SENP7 Q9BQF6 2/20 0.69
SENP6 Q9GZR1 2/20 0.69
NFKB1 P19838 2/20 0.66
NFKB2 Q00653 2/20 0.66
RELA Q04206 2/20 0.66
MAPK1 P28482 1/20 0.66
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 4/20 0.59
TP53 P04637 2/20 0.58
HSD17B10 Q99714 3/20 0.54

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
SCHEMBL10462454 1.00 RAB9A (0.76) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10462573 1.00 RAB9A (0.76) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10459306 1.00 RAB9A (0.76) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10461831 0.98 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10554982 0.98 SMN1; SMN2 (0.78) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10463153 0.98 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9620803 0.98 SMN1; SMN2 (0.78) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10559199 0.98 SMN1; SMN2 (0.78) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9620830 0.98 SMN1; SMN2 (0.78) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9621218 0.98 SMN1; SMN2 (0.78) RAB9ASMN1; SMN2NPC1MAPTSTAT3

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-4913837-A Heterocyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-03 US disclosed