SCHEMBL7734103

SCHEMBL7734103

COc1ccc(C(O)C#Cc2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
IGF1R P08069 1/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
NR4A1 P22736 1/20 0.44
MCL1 Q07820 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
HPGD P15428 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR1A P08908 2/20 0.42
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL7053252 0.99 IGF1R (0.45) MAPTIGF1RKMT2AALDH1A1RAB9A
SCHEMBL163754 0.89 MAPT (0.49) MAPTIGF1RKMT2AALDH1A1RAB9A
SCHEMBL1821168 0.89 MAPT (0.49) MAPTIGF1RKMT2AALDH1A1RAB9A
SCHEMBL9942722 0.83 APP (0.53) ALDH1A1MAPK1MCHR1L3MBTL1
SCHEMBL4650829 0.83 NPC1 (0.49) MAPTIGF1RALDH1A1RAB9AMAPK1
SCHEMBL8350349 0.82 ALDH1A1 (0.48) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL4649159 0.82 ALDH1A1 (0.51) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL3951909 0.81 ALDH1A1 (0.50) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL3996471 0.81 ALDH1A1 (0.47) MAPTKMT2AALDH1A1RAB9ANR4A1
SCHEMBL20415006 0.77 HTR3E (0.66) MAPTKMT2AALDH1A1RAB9ANR4A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6478988-B1 Photochromic substituted naphthopyran compounds BMC VISION-EASE LENS, INC. 2002-11-12 US disclosed
EP-1016702-A2 Photochromic substituted naphthopyran compounds BMC Vision-Ease Lens Inc. (US) 2000-07-05 EP disclosed
WO-1999031081-A1 PH SENSITIVE PHOTOCHROMIC DYES JAMES ROBINSON LIMITED (GB) 1999-06-24 WO disclosed