SCHEMBL31444206

SCHEMBL31444206

Oc1ccc2cc(Br)ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
ESR2 Q92731 7/20 0.43
ESR1 P03372 6/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B1 P14061 2/20 0.43
MAPT P10636 2/20 0.43
FTO Q9C0B1 1/20 0.42
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL16937583 0.92 MAPT (0.43) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL6288675 0.76
SCHEMBL16295919 0.75 CYP1A2 (0.46) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL10833774 0.75 PDPK1 (0.57) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL17374951 0.75 ALDH1A1 (0.54) CYP3A4ALOX15TSHRHIF1AHSD17B10
SCHEMBL1161585 0.75 CYP1A2 (0.57) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL14330642 0.75 CYP2A6 (0.46) ABL1
SCHEMBL29364786 0.74 CYP1A2 (0.77) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL69484 0.74 CYP1A2 (0.77) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL627219 0.74 CYP1A2 (0.77) CYP1A2ESR2ESR1CYP3A4ALOX15

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-2025096856-A1 COVALENT CEREBLON LIGANDS C4 THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed