SCHEMBL16367806

SCHEMBL16367806

Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.44
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PPARG P37231 2/20 0.36

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
SCHEMBL16367805 1.00 HPRT1 (0.44) HPRT1NPC1RAB9ANTSR1MEN1
SCHEMBL17368599 0.93 HPRT1 (0.44) HPRT1NPC1RAB9ANTSR1MEN1
SCHEMBL17366500 0.91 HPRT1 (0.45) HPRT1NPC1RAB9ANTSR1MEN1
SCHEMBL16367810 0.91 ALDH1A1 (0.40) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL9407416 0.90 HPRT1 (0.45) HPRT1NPC1RAB9ANTSR1MEN1
SCHEMBL17147713 0.90 HPRT1 (0.45) HPRT1NPC1RAB9ANTSR1MEN1
SCHEMBL18085708 0.90 HPRT1 (0.45) HPRT1NPC1RAB9ANTSR1MEN1
SCHEMBL16367811 0.89 ALDH1A1 (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL16641968 0.88 HPRT1 (0.46) HPRT1NPC1RAB9ANTSR1MEN1
SCHEMBL15946723 0.88 HPRT1 (0.46) HPRT1NPC1RAB9ANTSR1MEN1

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-2014204136-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SK CHEMICALS CO., LTD. (KR) 2014-12-24 — — WO disclosed
Send feedback