SCHEMBL7863860

SCHEMBL7863860

CC(O)(C#N)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
CYP19A1 P11511 4/20 0.41
POLB P06746 2/20 0.40
AR P10275 1/20 0.39
BCL2 P10415 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASR P41180 1/20 0.36

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
SCHEMBL12015995 0.80 TSHR (0.48) KMT2AMEN1TSHRCYP19A1AR
SCHEMBL4271577 0.78 KMT2A (0.58) KMT2AMEN1TSHRMAPK1HIF1A
SCHEMBL200565 0.77 ALDH1A1 (0.43) KMT2AMAPK1HIF1A
SCHEMBL27390196 0.77 ALDH1A1 (0.43) KMT2AMAPK1HIF1A
SCHEMBL3413029 0.77 MEN1 (0.50) KMT2AMEN1TSHRMAPK1HIF1A
SCHEMBL3995663 0.77 ALDH1A1 (0.43) KMT2AMAPK1HIF1A
SCHEMBL22097028 0.77 MEN1 (0.56) KMT2AMEN1TSHRMAPK1HIF1A
SCHEMBL11044891 0.75 KMT2A (0.54) KMT2AMEN1TSHRMAPK1HIF1A
SCHEMBL27897735 0.74 MEN1 (0.46) KMT2AMEN1TSHRMAPK1HIF1A
SCHEMBL26402 0.74 MEN1 (1.00) KMT2AMEN1TSHRMAPK1HIF1A

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
US-6300499-B1 α1-adrenergic receptor antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-09 US disclosed
EP-0891344-A1 ALPHA 1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-01-20 EP disclosed
WO-1997037983-A1 α1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1997-10-16 WO disclosed