SCHEMBL20116792

SCHEMBL20116792

CC(C)Nc1cc(N2CC3(CCN(C(=O)c4ccccc4Cl)CC3)C2)ccc1C=N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.41
AR P10275 2/20 0.41
USP2 O75604 8/20 0.41
ALDH1A1 P00352 8/20 0.41
HSD17B10 Q99714 7/20 0.41
CYP3A4 P08684 7/20 0.41
CYP2C19 P33261 6/20 0.41
MAPK1 P28482 6/20 0.41
HIF1A Q16665 6/20 0.41
HPGD P15428 5/20 0.41
CYP1A2 P05177 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
CYP2C9 P11712 4/20 0.40
TSHR P16473 3/20 0.40
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2D6 P10635 4/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL20676424 0.79 CYP3A4 (0.45) USP2ALDH1A1HSD17B10CYP3A4CYP2C19
SCHEMBL20676431 0.79 HSD17B10 (0.39) USP2ALDH1A1HSD17B10CYP3A4CYP2C19
SCHEMBL20116435 0.72 ALDH1A1 (0.41) ARUSP2ALDH1A1HSD17B10CYP3A4
SCHEMBL15058808 0.65 RXFP1 (0.62) ALDH1A1HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL1844242 0.63 MAPT (0.73) DCTPP1ALDH1A1CYP3A4CYP2C19MAPK1
SCHEMBL4171372 0.63 KMT2A (0.73) ALDH1A1HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL25331880 0.63 RXFP1 (0.59) ALDH1A1HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL10723816 0.63 RAB9A (0.80) ALDH1A1HSD17B10CYP2C19HPGDCYP2C9
SCHEMBL16000501 0.62 TDP1 (0.64) ALDH1A1CYP2C19CYP2C9KMT2AEPHX2
SCHEMBL3456393 0.62 KMT2A (0.72) ALDH1A1HSD17B10CYP2C19HPGDCYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed