SCHEMBL31336152

SCHEMBL31336152

Cc1cc(Br)cc(C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MCL1 Q07820 4/20 0.43
MAPK1 P28482 1/20 0.41
GPR35 Q9HC97 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DAO P14920 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL1424923 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EALOX15TSHR
SCHEMBL1425370 0.98 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EALOX15TSHR
Hydrochloric Acid SCHEMBL1425080 0.98 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EALOX15TSHR
Potassium SCHEMBL1425378 0.98 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EALOX15TSHR
SCHEMBL137184 0.84 ALOX15 (0.61) ALDH1A1SMN1; SMN2KDM4EALOX15TSHR
SCHEMBL24581892 0.83 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2KDM4ETSHRRXFP1
Hydrochloric Acid SCHEMBL28437239 0.82 ALOX15 (0.58) ALDH1A1SMN1; SMN2KDM4EALOX15TSHR
Potassium Ion SCHEMBL1425373 0.80 HTT (0.36) ALDH1A1SMN1; SMN2KDM4ETSHRRXFP1
SCHEMBL29084219 0.79 ALOX15 (0.50) ALDH1A1SMN1; SMN2KDM4EALOX15TSHR
SCHEMBL17130071 0.79 MAPT (0.46) ALDH1A1SMN1; SMN2KDM4ERXFP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119301096-A Inhibitors of MYST family lysine acetyltransferase 伊索斯泰里克斯公司 2025-01-10 CN disclosed