SCHEMBL750418

SCHEMBL750418

CNCc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.88
CYP2A6 P11509 2/20 0.54
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HRH3 Q9Y5N1 2/20 0.49
CYP19A1 P11511 2/20 0.49
KIF11 P52732 2/20 0.48
MMP3 P08254 2/20 0.48
KDM4E B2RXH2 3/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
ADRB2 P07550 1/20 0.44
EPHX2 P34913 1/20 0.44
MMP2 P08253 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL509578 0.94 LOXL2 (1.00) LOXL2CYP2A6TSHRHSD17B10HRH3
Hydrochloric Acid SCHEMBL8135282 0.91 LOXL2 (0.95) LOXL2CYP2A6TSHRHSD17B10CYP19A1
SCHEMBL13184538 0.84 KDM4E (0.59) LOXL2HRH3KDM4ECYP3A4MAPT
SCHEMBL16848648 0.82 LOXL2 (0.58) LOXL2CYP2A6TSHRHSD17B10HRH3
SCHEMBL14155434 0.82 LOXL2 (0.58) LOXL2CYP2A6TSHRHSD17B10HRH3
SCHEMBL18664438 0.82 LOXL2 (0.59) LOXL2CYP2A6TSHRHSD17B10HRH3
SCHEMBL21786654 0.79 LOXL2 (0.73) LOXL2CYP2A6TSHRHSD17B10HRH3
SCHEMBL1983767 0.79 LOXL2 (0.55) LOXL2CYP2A6TSHRHSD17B10CYP19A1
SCHEMBL10243323 0.78 CYP2A6 (0.86) LOXL2CYP2A6TSHRHSD17B10HRH3
SCHEMBL4651866 0.78 CYP2A6 (0.86) LOXL2CYP2A6TSHRHSD17B10HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9977294-B2 Liquid crystal display device INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2018-05-22 US disclosed
US-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed