SCHEMBL29592235

SCHEMBL29592235

O=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.48
▸ FAAH O00519 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ TP53 P04637 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ MALT1 Q9UDY8 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL14783653 1.00 CNR1 (0.48) CNR1FAAHCNR2TP53LMNA
SCHEMBL14783168 0.93 CNR1 (0.48) CNR1FAAHCNR2TP53LMNA
SCHEMBL29590279 0.93 CNR1 (0.48) CNR1FAAHCNR2TP53LMNA
SCHEMBL29590185 0.92 HDAC3 (0.47) CNR1TP53LMNAMEN1KMT2A
SCHEMBL14783652 0.92 PIK3CA (0.47) TP53LMNAMEN1KMT2AHTT
SCHEMBL29590182 0.92 PIK3CA (0.47) TP53LMNAMEN1KMT2AHTT
SCHEMBL14783640 0.92 HDAC3 (0.47) CNR1TP53LMNAMEN1KMT2A
SCHEMBL14783392 0.92 CNR1 (0.50) CNR1FAAHCNR2TP53LMNA
SCHEMBL29590675 0.92 CNR1 (0.50) CNR1FAAHCNR2TP53LMNA
SCHEMBL14783731 0.91 MCHR1 (0.42) CNR1TP53LMNAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 — — CN disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 — — CN disclosed
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