SCHEMBL23978677

SCHEMBL23978677

COC(=O)[C@H](CNC(N)=O)NC(=O)c1c(Cl)ccc(NC2CCc3ccccc3C2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.39
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
USP2 O75604 1/20 0.35
TAOK1 Q7L7X3 4/20 0.34
TAOK3 Q9H2K8 4/20 0.34
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL23978691 0.94 PRMT5 (0.36) PRMT5USP2MEN1KMT2A
SCHEMBL24804669 0.87 USP2 (0.44) PRMT5USP2TSHRLMNAKMT2A
SCHEMBL30279436 0.87 USP2 (0.44) PRMT5USP2TSHRLMNAKMT2A
SCHEMBL24803328 0.87 USP2 (0.44) PRMT5USP2TSHRLMNAKMT2A
SCHEMBL23979052 0.84 ITGB2 (0.39) PRMT5MEN1KMT2A
SCHEMBL26495894 0.84 USP2 (0.45) USP2TSHRMEN1LMNAKMT2A
SCHEMBL30279420 0.84 USP2 (0.45) USP2TSHRMEN1LMNAKMT2A
SCHEMBL24804667 0.84 USP2 (0.45) USP2TSHRMEN1LMNAKMT2A
SCHEMBL23979031 0.78 EPHX2 (0.42) PRMT5MTNR1AMTNR1BMEN1LMNA
SCHEMBL23978978 0.78 EPHX2 (0.42) PRMT5MTNR1AMTNR1BMEN1LMNA

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-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed