SCHEMBL31035757

SCHEMBL31035757

OCc1c(O)ccc(Br)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
ALOX15 P16050 2/20 0.33
DRD4 P21917 1/20 0.33
PDXK O00764 1/20 0.31
NQO2 P16083 1/20 0.31
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
HSPD1 P10809 1/20 0.30
HSPA5 P11021 1/20 0.30
IDO1 P14902 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
BLM P54132 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
SCHEMBL286423 0.84 CYP3A4 (0.41) CYP3A4MAPK1ALOX15DRD4PDXK
SCHEMBL1906026 0.77 CYP3A4 (0.54) CYP3A4MAPK1ALOX15PDXKMEN1
SCHEMBL18585398 0.77 TAAR1 (0.34)
SCHEMBL21076786 0.74 DAO (0.36) CYP3A4MAPK1ALOX15PDXKMEN1
SCHEMBL3747905 0.74 CYP3A4 (0.55) CYP3A4MAPK1ALOX15NQO2MEN1
SCHEMBL16369630 0.73 DRD4 (0.41) ALOX15DRD4NQO2LMNAHPGD
SCHEMBL29435088 0.72 ALDH1A1 (0.39) CYP3A4ALOX15DRD4LMNAMAPT
SCHEMBL302558 0.72 ALDH1A1 (0.39) CYP3A4ALOX15DRD4LMNAMAPT
SCHEMBL28417332 0.70 DRD4 (0.39) DRD4
SCHEMBL286284 0.70 KDM4E (0.36) ALOX15DRD4NQO2HPGDSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed