SCHEMBL31035586

SCHEMBL31035586

OCc1cc(Br)cc(F)c1I

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PYCR1 P32322 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
PLEC Q15149 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
SCHEMBL19792422 1.00 NPC1 (0.32) NPC1RAB9APTGDR2MAPK1HSD17B10
SCHEMBL671127 0.78 PTGDR2 (0.33) NPC1RAB9APTGDR2MAPK1HSD17B10
SCHEMBL30765098 0.77 MEN1 (0.38) NPC1RAB9APTGDR2MEN1ALDH1A1
SCHEMBL31394337 0.77 NPC1 (0.33) NPC1RAB9APTGDR2MAPK1HSD17B10
SCHEMBL1630992 0.77 MEN1 (0.38) NPC1RAB9APTGDR2MEN1ALDH1A1
SCHEMBL6687144 0.77 DGAT1 (0.33)
SCHEMBL24012991 0.75 HDAC1 (0.34) NPC1RAB9APTGDR2MAPK1HSD17B10
SCHEMBL29519110 0.75 ADRB2 (0.35) NPC1RAB9APTGDR2MAPK1HSD17B10
SCHEMBL31035450 0.75 SHBG (0.34) PTGDR2PYCR1ALDH1A1MAPT
SCHEMBL1571123 0.75 ADRB2 (0.35) NPC1RAB9APTGDR2MAPK1HSD17B10

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