SCHEMBL31422452

SCHEMBL31422452

COC=Cc1cc(Br)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 5/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TNFRSF1A P19438 1/20 0.34
KDM4E B2RXH2 3/20 0.33
POLB P06746 1/20 0.33
AMY1A P0DUB6 1/20 0.33
ERN1 O75460 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAOB P27338 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
TUBB1 Q9H4B7 2/20 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
Hydrochloric Acid SCHEMBL31477398 0.98 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19NPSR1LMNA
SCHEMBL13989638 0.80 ALOX5 (0.50) CYP1A2CYP3A4NPSR1LMNASMN1; SMN2
SCHEMBL1276360 0.79 NFE2L2 (0.39) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL2142490 0.79 NFE2L2 (0.39) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL13479506 0.78 ERN1 (0.36) CYP1A2CYP3A4CYP2C19NPSR1LMNA
SCHEMBL31050378 0.77 ALDH1A1 (0.33) LMNASMN1; SMN2L3MBTL1MAPTKMT2A
SCHEMBL2810447 0.77 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C19NPSR1LMNA
SCHEMBL2810445 0.77 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C19NPSR1LMNA
SCHEMBL1428556 0.76 CYP1A1 (0.40) CYP1A2L3MBTL1MAPTAMY1AALDH1A1
SCHEMBL1428554 0.76 CYP1A1 (0.40) CYP1A2L3MBTL1MAPTAMY1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085560-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085554-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed