SCHEMBL31425560

SCHEMBL31425560

CCC(Br)CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
GLS O94925 1/20 0.49
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CASP3 P42574 1/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL5963204 1.00 ALDH1A1 (0.52) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL31461466 0.90 CHRM2 (0.50) MEN1CYP1A2CHRM2CYP2C19KMT2A
SCHEMBL19974506 0.90 CHRM2 (0.50) MEN1CYP1A2CHRM2CYP2C19KMT2A
SCHEMBL20541403 0.87 TDP1 (0.53) MEN1CYP1A2CHRM2CYP2C19KMT2A
SCHEMBL4578834 0.87 TDP1 (0.53) MEN1CYP1A2CHRM2CYP2C19KMT2A
SCHEMBL7444648 0.83 ALDH1A1 (0.51) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL3389540 0.82 ALDH1A1 (0.47) ALDH1A1GLSMAPTCASP3KMT2A
SCHEMBL4309242 0.82 ALDH1A1 (0.59) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL12203853 0.81 ALDH1A1 (0.54) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL18394335 0.79 ALDH1A1 (0.49) ALDH1A1GLSMAPTNPSR1CASP3

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
EP-4739430-A1 SORBENT MATERIALS FOR CO2 CAPTURE, USES THEREOF AND METHODS FOR MAKING SAME Climeworks AG (CH) 2026-05-13 EP disclosed
WO-2025008318-A1 SORBENT MATERIALS FOR CO2 CAPTURE, USES THEREOF AND METHODS FOR MAKING SAME CLIMEWORKS AG (CH) 2025-01-09 WO disclosed