SCHEMBL9811331

SCHEMBL9811331

[CH2]C[n+]1cccc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DAO P14920 1/20 0.43
TSHR P16473 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
CYP2D6 P10635 1/20 0.43
PABPC1 P11940 1/20 0.42
ATM Q13315 1/20 0.42
HSP90AA1 P07900 3/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
SRD5A2 P31213 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9811156 0.83 L3MBTL1 (0.61) KMT2AMEN1NPSR1L3MBTL1TSHR
SCHEMBL10307407 0.81 KMT2A (0.53) KMT2AMEN1NPSR1L3MBTL1DAO
SCHEMBL14387378 0.80 KMT2A (0.49) KMT2AMEN1NPSR1L3MBTL1DAO
Hydrochloric Acid SCHEMBL28336416 0.79 KMT2A (0.52) KMT2AMEN1NPSR1L3MBTL1DAO
Bromide SCHEMBL17906576 0.79 KMT2A (0.52) KMT2AMEN1NPSR1L3MBTL1DAO
SCHEMBL14075499 0.79 LMNA (0.56) KMT2AMEN1NPSR1CYP2D6HSP90AA1
Bromide SCHEMBL29902123 0.79 KMT2A (0.52) KMT2AMEN1NPSR1L3MBTL1DAO
Iodide SCHEMBL1789272 0.79 KMT2A (0.52) KMT2AMEN1NPSR1L3MBTL1DAO
Fluoride Ion SCHEMBL5148077 0.79 KMT2A (0.47) KMT2AMEN1NPSR1L3MBTL1DAO
Bromide SCHEMBL5148139 0.79 KMT2A (0.47) KMT2AMEN1NPSR1L3MBTL1DAO

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
EP-0286021-B1 REACTIVE AZO DYES BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
US-4897469-A Aniline series azo reactive dyes ortho- or para-substituted by vinyl sulfonyl reactive groups BASF AKTIENGESELLSCHAFT (DE) 1990-01-30 US disclosed
EP-0286021-A2 Reactive azo dyes BASF Aktiengesellschaft (DE) 1988-10-12 EP disclosed