SCHEMBL7053252

SCHEMBL7053252

COc1ccc(C(O)C#Cc2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.45
MAPT P10636 7/20 0.45
KMT2A Q03164 5/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NR4A1 P22736 1/20 0.45
MCL1 Q07820 1/20 0.45
MEN1 O00255 2/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 2/20 0.43
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL7734103 0.99 MAPT (0.46) IGF1RMAPTKMT2ARAB9AALDH1A1
SCHEMBL1821168 0.90 MAPT (0.49) IGF1RMAPTKMT2ARAB9AALDH1A1
SCHEMBL163754 0.90 MAPT (0.49) IGF1RMAPTKMT2ARAB9AALDH1A1
SCHEMBL9942722 0.84 APP (0.53) ALDH1A1MAPK1L3MBTL1
SCHEMBL3996471 0.82 ALDH1A1 (0.47) MAPTKMT2ARAB9AALDH1A1NR4A1
SCHEMBL3951909 0.82 ALDH1A1 (0.50) MAPTKMT2ARAB9AALDH1A1NR4A1
SCHEMBL4650829 0.81 NPC1 (0.49) IGF1RMAPTRAB9AALDH1A1HTR1A
SCHEMBL4649159 0.81 ALDH1A1 (0.51) MAPTKMT2ARAB9AALDH1A1NR4A1
SCHEMBL8350349 0.81 ALDH1A1 (0.48) MAPTKMT2ARAB9AALDH1A1NR4A1
SCHEMBL3924311 0.77 APP (0.46) KMT2ARAB9AALDH1A1MEN1NPC1

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
WO-2003025638-A1 OXYGEN-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS VISION-EASE LENS, INC. (US) 2003-03-27 WO disclosed