SCHEMBL31076452

SCHEMBL31076452

Clc1cccc(CC2CO2)c1Br

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.36
PNMT P11086 2/20 0.34
CYP2A13 Q16696 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
IDO1 P14902 1/20 0.31
KMT2A Q03164 1/20 0.31
RECQL P46063 1/20 0.31
HSP90AA1 P07900 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL3534749 0.81 TAAR1 (0.51) TAAR1PNMTCYP2A13ALDH1A1TP53
SCHEMBL28859704 0.80 TAAR1 (0.37) TAAR1PNMTCYP2A13ALDH1A1TP53
SCHEMBL13116361 0.79 HSP90AA1 (0.45) TAAR1PNMTCYP2A13ALDH1A1TP53
SCHEMBL1907932 0.75 TAAR1 (0.35) TAAR1PNMTCYP2A13HTTKMT2A
SCHEMBL29826970 0.74 TDP1 (0.45) TAAR1ALDH1A1TP53CYP3A4TSHR
SCHEMBL6480647 0.74 TDP1 (0.45) TAAR1ALDH1A1TP53CYP3A4TSHR
SCHEMBL12670340 0.73 L3MBTL1 (0.38) TAAR1ALDH1A1TP53CYP3A4TSHR
SCHEMBL8847215 0.73 HMGB1 (0.37) ALDH1A1TSHRSMN1; SMN2KDM4EHTT
SCHEMBL29148064 0.73 TAAR1 (0.42) TAAR1CYP2A13ALDH1A1TSHRIDO1
SCHEMBL2778676 0.72 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4TSHRSMN1; 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-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