SCHEMBL30158644

SCHEMBL30158644

CS(=O)(=O)NC(=O)CC1CCC(=O)N1Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.51
▸ MDM2 Q00987 4/20 0.45
▸ TP53 P04637 3/20 0.45
▸ USP2 O75604 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PTGDR Q13258 1/20 0.39

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
SCHEMBL30157917 0.89 P2RX7 (0.48) P2RX7MDM2TP53USP2NPC1
SCHEMBL30157832 0.88 KMT2A (0.44) P2RX7MDM2TP53PTGER4
SCHEMBL30157505 0.88 KMT2A (0.45) P2RX7NPC1CTSLPOLBPTGER4
SCHEMBL30157706 0.87 P2RX7 (0.46) P2RX7MDM2TP53USP2NPC1
SCHEMBL30157958 0.87 P2RX7 (0.46) P2RX7MDM2TP53USP2NPC1
SCHEMBL30157646 0.84 PTGER3 (0.43) P2RX7POLBPTGER4SIGMAR1
SCHEMBL30157492 0.84 KMT2A (0.44) P2RX7PTGER4
SCHEMBL30157399 0.84 KMT2A (0.55) USP2POLBPTGER4
SCHEMBL30157731 0.83 KMT2A (0.42) P2RX7PTGER4
SCHEMBL31706314 0.83 P2RX7 (0.52) P2RX7MDM2TP53USP2NPC1

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-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
Send feedback