SCHEMBL30157971

SCHEMBL30157971

O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCCc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 7/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL30157682 0.91 ALDH1A1 (0.57) P2RX7ALDH1A1
SCHEMBL30157436 0.91 P2RX7 (0.48) P2RX7ALDH1A1KMT2A
SCHEMBL30157760 0.90 ALDH1A1 (0.48) P2RX7ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL30157349 0.90 P2RX7 (0.51) P2RX7ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL30157834 0.89 P2RX7 (0.47) P2RX7ALDH1A1
SCHEMBL30158008 0.89 P2RX7 (0.49) P2RX7ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL30158106 0.89 P2RX7 (0.51) P2RX7ALDH1A1KMT2AMEN1HPGD
SCHEMBL30158070 0.89 ALDH1A1 (0.48) P2RX7ALDH1A1KMT2AMEN1USP2
SCHEMBL30157596 0.88 P2RX7 (0.48) P2RX7ALDH1A1KMT2AMEN1NPC1
SCHEMBL30157572 0.87 P2RX7 (0.50) P2RX7ALDH1A1KMT2ASMN1; SMN2MEN1

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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