SCHEMBL10459581

SCHEMBL10459581

CCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
RAB9A P51151 4/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
RARB P10826 5/20 0.45
TSHR P16473 1/20 0.45
MCHR1 Q99705 1/20 0.44
RARA P10276 1/20 0.44
MTOR P42345 1/20 0.44
NPC1 O15118 1/20 0.43
STAT3 P40763 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10462049 0.98 MAPT (0.51) MAPTRAB9AHSD17B10MEN1ALDH1A1
SCHEMBL10462118 0.98 MAPT (0.51) MAPTRAB9AHSD17B10MEN1ALDH1A1
SCHEMBL10460290 0.98 MAPT (0.51) MAPTRAB9AHSD17B10MEN1ALDH1A1
SCHEMBL10462034 0.95 MCHR1 (0.45) MAPTRAB9AHSD17B10MEN1ALDH1A1
SCHEMBL10462432 0.95 MAPT (0.54) MAPTRAB9AHSD17B10MEN1ALDH1A1
SCHEMBL10462330 0.93 MAPT (0.56) MAPTRAB9AHSD17B10MEN1ALDH1A1
SCHEMBL10461041 0.93 MAPT (0.56) MAPTRAB9AHSD17B10MEN1ALDH1A1
SCHEMBL10462486 0.93 MAPT (0.56) MAPTRAB9AHSD17B10MEN1ALDH1A1
SCHEMBL10459849 0.93 RAB9A (0.53) MAPTRAB9AHSD17B10MEN1ALDH1A1
SCHEMBL10460929 0.93 MAPT (0.56) MAPTRAB9AHSD17B10MEN1ALDH1A1

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