SCHEMBL31076352

SCHEMBL31076352

Cc1cc(CO)cc(Br)c1I

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.34
SHBG P04278 1/20 0.34
LMNA P02545 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL31076513 0.81
SCHEMBL22452366 0.78 ACHE (0.37) HSD17B10ALOX15TSHRACHESHBG
SCHEMBL9369186 0.78 ACHE (0.37) HSD17B10ALOX15TSHRACHESHBG
SCHEMBL26851762 0.77 ACHE (0.41) HSD17B10ALOX15ACHESHBGALDH1A1
SCHEMBL3310038 0.75 ALOX15 (0.38) HSD17B10ALOX15TSHRACHESHBG
SCHEMBL2459165 0.75 ACHE (0.42) HSD17B10ALOX15TSHRACHESHBG
SCHEMBL879829 0.75 ACHE (0.42) HSD17B10ALOX15TSHRACHESHBG
SCHEMBL31618730 0.71 CYP3A4 (0.42) ALOX15ACHEALDH1A1
SCHEMBL6478847 0.70 RAPGEF4 (0.36) LMNAALDH1A1
SCHEMBL12699692 0.70 CYP3A4 (0.38) ALOX15TSHRLMNAALDH1A1

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-4642778-A1 LSD1 MODULATORS Recursion Pharmaceuticals, Inc. (US) 2025-11-05 EP disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed