SCHEMBL30157646

SCHEMBL30157646

CS(=O)(=O)NC(=O)CC1CCC(=O)N1Cc1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 2/20 0.43
▸ P2RX7 Q99572 5/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ GYS1 P13807 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PTGER4 P35408 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
SCHEMBL30157651 0.89 P2RX7 (0.42) PTGER3P2RX7KMT2AGAASIGMAR1
SCHEMBL30157866 0.88 PTGER3 (0.41) PTGER3P2RX7KMT2AGAASIGMAR1
SCHEMBL30157832 0.87 KMT2A (0.44) P2RX7KMT2AGAAALDH1A1KDM4E
SCHEMBL30157505 0.86 KMT2A (0.45) P2RX7KMT2AGAASIGMAR1ALDH1A1
SCHEMBL30157492 0.84 KMT2A (0.44) P2RX7KMT2AGAAALDH1A1KDM4E
SCHEMBL30157399 0.84 KMT2A (0.55) KMT2AGAAALDH1A1KDM4ECYP2C9
SCHEMBL30158644 0.84 P2RX7 (0.51) P2RX7SIGMAR1POLBPTGER4
SCHEMBL30157408 0.84 SIGMAR1 (0.51) P2RX7KMT2AGAASIGMAR1GYS1
SCHEMBL30158611 0.82 ALDH1A1 (0.50) PTGER3P2RX7KMT2AGAASIGMAR1
SCHEMBL30158699 0.82 ALDH1A1 (0.50) PTGER3P2RX7KMT2AGAASIGMAR1

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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