SCHEMBL31447892

SCHEMBL31447892

Clc1cc(Br)c2[nH]c3c(c2c1)CCCCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
HSD17B10 Q99714 3/20 0.47
TP53 P04637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
IKBKB O14920 1/20 0.47
USP2 O75604 1/20 0.47
MAPK10 P53779 1/20 0.47
GFER P55789 2/20 0.37
AR P10275 4/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
PARP1 P09874 1/20 0.36
LMNA P02545 2/20 0.35
THRB P10828 2/20 0.35
NISCH Q9Y2I1 1/20 0.35
MET P08581 1/20 0.34

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
SCHEMBL7020838 0.81 AR (0.51) MAPTHSD17B10TP53ALDH1A1ALOX15
SCHEMBL31447858 0.81 MAPT (0.47) MAPTHSD17B10TP53ALDH1A1ALOX15
SCHEMBL38651956 0.75 MAPT (0.45) MAPTHSD17B10TP53ALDH1A1ALOX15
SCHEMBL2355677 0.75 CHRNA7 (0.47) HSD17B10ALDH1A1ALOX15MAPK1USP2
SCHEMBL11742170 0.74 GFER (0.61) MAPTHSD17B10TP53ALDH1A1ALOX15
SCHEMBL17895754 0.73 NISCH (0.62) MAPTHSD17B10TP53ALDH1A1ALOX15
SCHEMBL29805642 0.72 MET (0.39) HSD17B10ALDH1A1ARMET
SCHEMBL28796045 0.72 MET (0.39) HSD17B10ALDH1A1ARMET
SCHEMBL17115290 0.71 NISCH (0.64) MAPTHSD17B10TP53ALDH1A1ALOX15
SCHEMBL31447797 0.71 GFER (0.43) MAPTHSD17B10TP53ALDH1A1ALOX15

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