SCHEMBL27608014

SCHEMBL27608014

CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.39
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2D6 P10635 2/20 0.36
PTAFR P25105 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL16386582 0.95 PTGES (0.41) TACR1RAB9ANPSR1MEN1KMT2A
SCHEMBL19862779 0.95 PTGES (0.41) TACR1RAB9ANPSR1MEN1KMT2A
SCHEMBL28588395 0.95 PTAFR (0.39) TACR1RAB9ANPSR1MEN1KMT2A
SCHEMBL2068610 0.94 PTGES (0.38) TACR1RAB9ANPSR1MEN1KMT2A
SCHEMBL6660571 0.91 RAB9A (0.41) RAB9ANPSR1MEN1KMT2APTGES
SCHEMBL26625120 0.88 TACR1 (0.34) TACR1RAB9ANPSR1MEN1KMT2A
SCHEMBL24897170 0.88 MEN1 (0.39) TACR1RAB9ANPSR1MEN1KMT2A
SCHEMBL29320770 0.88 CYP2D6 (0.36) TACR1RAB9ANPSR1MEN1KMT2A
SCHEMBL6660574 0.88 NPSR1 (0.35) TACR1RAB9ANPSR1MEN1KMT2A
SCHEMBL26547123 0.86 ALDH1A1 (0.36) TACR1RAB9ANPSR1MEN1KMT2A

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
CN-100381417-C Process for preparing arylamines COVION ORGANIC SEMICONDUCTORS (DE) 2008-04-16 CN disclosed
CN-1582270-A Method for the production of arylamines COVION ORGANIC SEMICONDUCTORS (DE) 2005-02-16 CN disclosed