SCHEMBL24384653

SCHEMBL24384653

Cc1cc(CBr)c(Cl)cc1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.32
▸ ALOX15 P16050 2/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL17466146 0.83 CD44 (0.37) ALOX15ALDH1A1CYP1A2CASP7HIF1A
SCHEMBL30030017 0.82 DPP4 (0.33) ALOX15ALOX12
SCHEMBL14774772 0.82 DPP4 (0.33) ALOX15ALOX12
SCHEMBL9886100 0.81 GRIN2D (0.42) DHFR
SCHEMBL17466153 0.80 CD44 (0.41) ALOX15ALOX12ALDH1A1CYP1A2CASP7
SCHEMBL19433173 0.80 DPP4 (0.36) ALOX15ALDH1A1CYP1A2CASP7HIF1A
SCHEMBL31459934 0.78 GRIN2D (0.36) —
SCHEMBL26971076 0.77 POLB (0.33) ALOX15ALOX12ALDH1A1CYP1A2CASP7
SCHEMBL28490129 0.77 KDM1A (0.38) —
SCHEMBL488821 0.76 GPR84 (0.37) ALDH1A1CYP1A2

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
EP-3992189-A1 QUINAZOLINE AND CINNOLINE DERIVATIVES AS DNA-PK INHIBITOR Medshine Discovery Inc. (CN) 2022-05-04 — — EP disclosed
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