SCHEMBL31447797

SCHEMBL31447797

Clc1ccc2c3c([nH]c2c1Br)CCCCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.43
MAPT P10636 6/20 0.42
HSD17B10 Q99714 5/20 0.42
ALOX15 P16050 3/20 0.42
MAPK1 P28482 3/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
IKBKB O14920 1/20 0.40
USP2 O75604 1/20 0.40
MAPK10 P53779 1/20 0.40
PARP1 P09874 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PARP14 Q460N5 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL31447784 0.81 GFER (0.43) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL18457809 0.80 GFER (0.45) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL31447860 0.78 GFER (0.41) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL4730000 0.77 TAAR1 (0.60) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL4727564 0.75 TAAR1 (0.62) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL17895754 0.73 NISCH (0.62) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL22787314 0.72 AR (0.37) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL17115290 0.71 NISCH (0.64) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL31447892 0.71 MAPT (0.47) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL23423055 0.69 CGAS (0.52) MAPTMAPK1ALDH1A1USP2PARP1

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
CN-119331020-A Polycyclic nitrogen-containing heterocyclic compound and application thereof 深圳艾克斯恩生物科技有限公司 2025-01-21 CN disclosed