SCHEMBL30157660

SCHEMBL30157660

CC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)NCc2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ P2RX7 Q99572 1/20 0.48
▸ POLB P06746 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ RORC P51449 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL30157928 0.86 HDAC1 (0.48) KMT2AHDAC1HDAC2P2RX7GAA
SCHEMBL30157915 0.83 GAA (0.60) KMT2AHDAC1HDAC2P2RX7RAB9A
SCHEMBL30157636 0.82 P2RX7 (0.56) KMT2AHDAC1HDAC2P2RX7POLB
SCHEMBL30157819 0.82 SMN1; SMN2 (0.51) KMT2AHDAC1HDAC2POLBRAB9A
SCHEMBL30157600 0.81 KMT2A (0.51) KMT2APOLBTSHRTP53GAA
SCHEMBL30158670 0.80 PTGER2 (0.49) KMT2AHDAC1HDAC2P2RX7POLB
SCHEMBL30157628 0.80 EPHX2 (0.44) KMT2AHDAC1HDAC2P2RX7POLB
SCHEMBL30157530 0.80 ALDH1A1 (0.51) KMT2AHDAC1HDAC2SMN1; SMN2TSHR
SCHEMBL30157582 0.79 KMT2A (0.65) KMT2AHDAC1HDAC2SMN1; SMN2LMNA
SCHEMBL30157321 0.78 KMT2A (0.53) KMT2APOLBTSHRALOX15GAA

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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