SCHEMBL29704358

SCHEMBL29704358

COC(=O)c1ccc2c(c1)c(Br)nn2C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.46
▸ CNR1 P21554 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ CREBBP Q92793 2/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ SSTR4 P31391 1/20 0.39
▸ SPR P35270 1/20 0.38
▸ TEAD1 P28347 1/20 0.38
▸ TEAD4 Q15561 1/20 0.38
▸ TEAD2 Q15562 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL19644534 1.00 CNR2 (0.46) CNR2CNR1ALDH1A1ALOX15HPGD
SCHEMBL18548025 0.82 DGAT2 (0.40) CNR2CNR1ALDH1A1HPGDRPS6KB1
SCHEMBL31632983 0.82 AXL (0.42) CNR2CNR1ALDH1A1ALOX15HPGD
SCHEMBL31522407 0.80 ALDH1A1 (0.47) CNR2CNR1ALDH1A1ALOX15HPGD
SCHEMBL30676733 0.80 ELANE (0.53) CNR2CNR1KDM4CSSTR4OPRK1
SCHEMBL29121557 0.80 ELANE (0.53) CNR2CNR1KDM4CSSTR4OPRK1
SCHEMBL29704418 0.77 PTGER4 (0.40) ALDH1A1ALOX15HPGDMGLLHSD17B10
SCHEMBL19657727 0.77 PTGER4 (0.40) ALDH1A1ALOX15HPGDMGLLHSD17B10
SCHEMBL20594787 0.77 ALDH1A1 (0.43) CNR2ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL19644454 0.76 OPRK1 (0.38) ALDH1A1ALOX15HPGDMGLLHSD17B10

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-115028617-A Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2022-09-09 — — CN disclosed
CN-109476641-B Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2022-07-05 — — CN disclosed
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