SCHEMBL18285474

SCHEMBL18285474

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(N[C@@H]3CCCNC3)c2[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
RPLP1 P05386 2/20 0.41
RPLP0 P05388 2/20 0.41
RPS17 P08708 2/20 0.41
RPSA P08865 2/20 0.41
RPS2 P15880 2/20 0.41
RPL35A P18077 2/20 0.41
RPL7 P18124 2/20 0.41
RPL17 P18621 2/20 0.41
RPS4Y1 P22090 2/20 0.41
RPS3 P23396 2/20 0.41
RPS12 P25398 2/20 0.41
RPL13 P26373 2/20 0.41
RPL10 P27635 2/20 0.41
RPL12 P30050 2/20 0.41
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 2/20 0.41
RPL22 P35268 2/20 0.41
RPL4 P36578 2/20 0.41
RPS19 P39019 2/20 0.41
RPL3 P39023 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
SCHEMBL29471047 0.90 KMT2A (0.44) KMT2AMEN1BLMATMTP53
SCHEMBL18285501 0.84 RPLP1 (0.42) KCNH2RPLP1RPLP0RPS17RPSA
SCHEMBL18285592 0.81 GFER (0.42) KMT2ANPC1
SCHEMBL18285588 0.81 GFER (0.42) KMT2ANPC1
SCHEMBL18285596 0.81 GFER (0.42) KMT2ANPC1
SCHEMBL2707665 0.79 NPC1 (0.41) KCNH2RPS6KB1KMT2AMEN1NPC1
SCHEMBL25981785 0.79 BTK (0.36) BTK
SCHEMBL23450710 0.78 ALDH1A1 (0.41) KMT2AMEN1BTK
SCHEMBL18290014 0.78 ALDH1A1 (0.41) KMT2AMEN1BTK
SCHEMBL30111806 0.78 ALDH1A1 (0.41) KMT2AMEN1BTK

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
EP-3303334-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2018-04-11 EP disclosed
WO-2016196840-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2016-12-08 WO disclosed