SCHEMBL19212409

SCHEMBL19212409

O=C(NCCc1cnc(N2CCN(C(=O)O)CC2)c(Cl)c1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 15/20 0.57
CXCR3 P49682 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
CHRM4 P08173 1/20 0.44
USP28 Q96RU2 1/20 0.44
USP25 Q9UHP3 1/20 0.44
PDE1B Q01064 1/20 0.43

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
SCHEMBL19212401 0.89 P2RY12 (0.54) P2RY12
SCHEMBL19210903 0.84 GRM5 (0.50) P2RY12MAPT
SCHEMBL19210942 0.78 SMN1; SMN2 (0.56) MAPT
SCHEMBL28680929 0.77 P2RY12 (0.43) P2RY12CXCR3MAPTUSP28USP25
SCHEMBL19212199 0.76 SMN1; SMN2 (0.45) P2RY12KDM4EMAPT
SCHEMBL19212115 0.75 GRM5 (0.51) MAPTUSP28USP25
SCHEMBL19212112 0.75 LMNA (0.44) MAPTUSP28USP25
SCHEMBL27927939 0.74 KMT2A (0.47) P2RY12KDM4EMAPT
SCHEMBL21457818 0.74 BACE1 (0.48) MAPT
SCHEMBL3924709 0.73 P2RY12 (1.00) P2RY12

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-3414252-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2018-12-19 EP disclosed
WO-2017139778-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-08-17 WO disclosed