SCHEMBL31373095

SCHEMBL31373095

CCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 17/20 1.00
▸ ALDH1A1 P00352 3/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ USP2 O75604 1/20 0.68
▸ ATM Q13315 1/20 0.68
▸ KEAP1 Q14145 1/20 0.68
▸ NFE2L2 Q16236 1/20 0.68
▸ POLB P06746 2/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ NPC1 O15118 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ PABPC1 P11940 1/20 0.64

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
SCHEMBL2530062 1.00 CYP1B1 (1.00) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL29697183 0.88 CYP1B1 (0.78) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL20419197 0.88 CYP1B1 (0.78) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL30837348 0.88 CYP1B1 (0.78) CYP1B1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11213849 0.88 CYP1B1 (0.78) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL10413423 0.88 CYP1B1 (0.78) CYP1B1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10261574 0.87 CYP1B1 (0.77) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL30499259 0.85 POLB (0.74) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL3773566 0.85 POLB (0.74) CYP1B1ALDH1A1KDM4ELMNAMEN1
SCHEMBL21988152 0.84 POLB (0.72) CYP1B1ALDH1A1KDM4ELMNAMEN1

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-2025032611-A1 BENZO[de]ISOQUINOLINE-1,3-DIONE BASED COMPOUND AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2025-02-13 — — WO disclosed
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