SCHEMBL31384006

SCHEMBL31384006

C/C=C/c1ccc(C)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 3/20 0.37
MTOR P42345 1/20 0.37
ACHE P22303 1/20 0.35
NQO2 P16083 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 4/20 0.33
RAB9A P51151 2/20 0.33
CYP2A6 P11509 2/20 0.33
HMGCR P04035 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL16863860 1.00 ALDH1A1 (0.38) ALDH1A1MAPK1NPC1MTORACHE
SCHEMBL14167631 0.83 ALOX5 (0.35) ALDH1A1MAPK1NPC1NQO2SMN1; SMN2
SCHEMBL15792855 0.83 ALOX5 (0.35) ALDH1A1MAPK1NPC1NQO2SMN1; SMN2
SCHEMBL16308833 0.83 ALOX5 (0.35) ALDH1A1MAPK1NPC1NQO2SMN1; SMN2
SCHEMBL21012154 0.78 POLB (0.42) ALDH1A1MAPK1NPC1MTORSMN1; SMN2
SCHEMBL675033 0.77 AMY1A (0.43) ALDH1A1NPC1NQO2SMN1; SMN2TP53
SCHEMBL11444758 0.77 AMY1A (0.43) ALDH1A1NPC1NQO2SMN1; SMN2TP53
SCHEMBL675032 0.77 AMY1A (0.43) ALDH1A1NPC1NQO2SMN1; SMN2TP53
SCHEMBL29444188 0.77 AMY1A (0.43) ALDH1A1NPC1NQO2SMN1; SMN2TP53
SCHEMBL29443124 0.77 AMY1A (0.43) ALDH1A1NPC1NQO2SMN1; SMN2TP53

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-2025064802-A1 INHIBITING HUMAN INTEGRIN α5β1 MORPHIC THERAPEUTIC, INC. (US) 2025-03-27 WO disclosed