SCHEMBL19687585

SCHEMBL19687585

COc1cc2c(cc1C)cc(C#N)n2Cc1cn[nH]c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
ROCK2 O75116 5/20 0.35
SOS1 Q07889 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
PDE4B Q07343 3/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL18292174 0.77 MEN1 (0.40) MEN1KMT2AROCK2PGR
SCHEMBL19687595 0.75 MEN1 (0.45) MEN1KMT2AROCK2KDM4EALDH1A1
SCHEMBL18292172 0.75 MEN1 (0.40) MEN1KMT2AROCK2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL31092654 0.75 KMT2A (0.40) MEN1KMT2AROCK2KDM4EALDH1A1
SCHEMBL18292162 0.69 MEN1 (0.42) MEN1KMT2AROCK2KDM4EALDH1A1
SCHEMBL16030540 0.61 NR1H2 (0.36)
SCHEMBL5365892 0.59 AR (0.65) ROCK2
SCHEMBL30705681 0.58 DCTPP1 (0.45) MEN1KMT2AKDM4EALDH1A1
SCHEMBL19687623 0.57 CCR9 (0.48)
SCHEMBL16030262 0.56 EHMT2 (0.43) MEN1KMT2AKDM4EALDH1A1GAA

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-2017205972-A1 SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER GENOMEDX BIOSCIENCES, INC. (CA) 2017-12-07 WO disclosed