SCHEMBL10463544

SCHEMBL10463544

CCCCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(CCCCCC)cn3)cc2)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.65
MAPT P10636 5/20 0.65
RAB9A P51151 8/20 0.57
CASP3 P42574 2/20 0.57
SENP8 Q96LD8 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP6 Q9GZR1 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NPC1 O15118 7/20 0.55
STAT3 P40763 1/20 0.55
ATM Q13315 1/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
THRB P10828 3/20 0.54
RARB P10826 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
RARA P10276 1/20 0.50

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
SCHEMBL10461859 1.00 SMN1; SMN2 (0.65) SMN1; SMN2MAPTRAB9ACASP3SENP8
SCHEMBL10459982 1.00 SMN1; SMN2 (0.65) SMN1; SMN2MAPTRAB9ACASP3SENP8
SCHEMBL10462422 1.00 SMN1; SMN2 (0.65) SMN1; SMN2MAPTRAB9ACASP3SENP8
SCHEMBL10461285 1.00 SMN1; SMN2 (0.65) SMN1; SMN2MAPTRAB9ACASP3SENP8
SCHEMBL10462067 1.00 SMN1; SMN2 (0.65) SMN1; SMN2MAPTRAB9ACASP3SENP8
SCHEMBL10463014 1.00 SMN1; SMN2 (0.65) SMN1; SMN2MAPTRAB9ACASP3SENP8
SCHEMBL10462506 1.00 SMN1; SMN2 (0.65) SMN1; SMN2MAPTRAB9ACASP3SENP8
SCHEMBL10462207 1.00 SMN1; SMN2 (0.65) SMN1; SMN2MAPTRAB9ACASP3SENP8
SCHEMBL10463092 1.00 SMN1; SMN2 (0.65) SMN1; SMN2MAPTRAB9ACASP3SENP8
SCHEMBL10462435 1.00 SMN1; SMN2 (0.65) SMN1; SMN2MAPTRAB9ACASP3SENP8

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