SCHEMBL31324965

SCHEMBL31324965

N#Cc1ccc(N2c3ccccc3N(c3ccc(C#N)cc3)c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ELANE P08246 1/20 0.46
POLB P06746 1/20 0.46
PGR P06401 6/20 0.45
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
NR1H3 Q13133 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TLR9 Q9NR96 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL17883188 1.00 TSHR (0.50) TSHRELANEPOLBPGRMAOB
SCHEMBL20284477 0.96 TSHR (0.52) TSHRELANEPOLBPGRMAOB
SCHEMBL19344946 0.85 POLB (0.42) TSHRELANEPOLBPGRKDM4E
SCHEMBL19344969 0.85 ELANE (0.42) TSHRELANEPOLBPGR
SCHEMBL6024614 0.85 HPGD (0.47) TSHRELANEPOLBPGRMAOB
SCHEMBL19344967 0.85 HDAC6 (0.50) TSHRELANEPOLBPGRMAOA
SCHEMBL29617995 0.85 HDAC6 (0.50) TSHRELANEPOLBPGRMAOA
SCHEMBL15178582 0.83 ELANE (0.43) TSHRELANEPOLBPGRKDM4E
SCHEMBL19344971 0.82 ELANE (0.41) TSHRELANEPOLBPGRMAOB
SCHEMBL19344945 0.82 TSHR (0.42) TSHRELANEPOLBPGRMAOB

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
CN-119504616-A Application of anode material in improving oxidation-reduction potential and electrochromic device 宁波华瓴光学技术有限公司 2025-02-25 CN disclosed