SCHEMBL30157651

SCHEMBL30157651

CN(C)S(=O)(=O)NC(=O)CC1CCC(=O)N1Cc1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.42
▸ PTGER3 P43115 2/20 0.42
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ GYS1 P13807 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
SCHEMBL30157646 0.89 PTGER3 (0.43) P2RX7PTGER3TSHRKMT2ACYP2D6
SCHEMBL30157671 0.88 KMT2A (0.42) P2RX7TSHRALOX15KMT2ACYP2D6
SCHEMBL30157325 0.87 KMT2A (0.49) P2RX7TSHRALOX15KMT2ACYP2D6
SCHEMBL30158001 0.85 KMT2A (0.52) TSHRALOX15KMT2ACYP2C19KDM4E
SCHEMBL30157917 0.85 P2RX7 (0.48) P2RX7KMT2AMEN1KDM4EPOLB
SCHEMBL30157866 0.85 PTGER3 (0.41) P2RX7PTGER3TSHRKMT2ACYP2D6
SCHEMBL30157704 0.82 KDM4E (0.42) P2RX7PTGER3TSHRALOX15KMT2A
SCHEMBL30157588 0.81 P2RX7 (0.51) P2RX7CYP2D6CYP2C19
SCHEMBL30157408 0.81 SIGMAR1 (0.51) P2RX7TSHRKMT2APOLBALDH1A1
SCHEMBL30158611 0.79 ALDH1A1 (0.50) P2RX7PTGER3TSHRKMT2AKDM4E

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
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