SCHEMBL30157636

SCHEMBL30157636

O=C(CC1CCC(=O)N1Cc1cccc(C(F)(F)F)c1)NCc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.56
▸ PAX8 Q06710 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ PIM2 Q9P1W9 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ RORC P51449 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CCR1 P32246 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
SCHEMBL30157458 0.87 P2RX7 (0.52) P2RX7RAB9ANPC1HDAC1HDAC2
SCHEMBL30157885 0.86 P2RX7 (0.60) P2RX7ALDH1A1RAB9ANPC1POLB
SCHEMBL30157660 0.82 KMT2A (0.49) P2RX7ALDH1A1RAB9AHDAC1HDAC2
SCHEMBL30158065 0.81 SIGMAR1 (0.53) P2RX7ALDH1A1POLBKMT2A
SCHEMBL30157822 0.81 P2RX7 (0.52) P2RX7KMT2A
SCHEMBL30157538 0.79 P2RX7 (0.48) P2RX7RAB9ANPC1HDAC1HDAC2
SCHEMBL30157596 0.78 P2RX7 (0.48) P2RX7ALDH1A1RAB9ANPC1KMT2A
SCHEMBL30157582 0.76 KMT2A (0.65) ALDH1A1HDAC1HDAC2SMN1; SMN2KMT2A
SCHEMBL1611778 0.75 P2RX7 (0.60) P2RX7ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL289453 0.75 P2RX7 (0.60) P2RX7ALDH1A1POLBSMN1; SMN2KMT2A

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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