SCHEMBL9532086

SCHEMBL9532086

O=C(Cl)c1ccc2cccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA4 P43681 2/20 0.48
HNF4A P41235 2/20 0.47
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 1/20 0.43
BCL2L1 Q07817 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43

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
SCHEMBL18825620 0.94 BCAT2 (0.59) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL229441 0.93 BCAT2 (0.63) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL3297211 0.85 BCAT2 (0.53) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL29697585 0.83 BCAT2 (0.47) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL29697586 0.83 BCAT2 (0.47) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28640320 0.83 SLC6A3 (0.64) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL31517118 0.82 HNF4A (0.61) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL27592177 0.82 BCAT2 (0.59) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL1479704 0.82 HNF4A (0.61) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL1580001 0.82 SLC6A3 (0.49) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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-0289170-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1993-06-23 EP disclosed
US-4882327-A NERVOUS SYSTEM DISORDERS BEECHAM GROUP P.L.C. (GB) 1989-11-21 US disclosed
EP-0289170-A2 Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-11-02 EP disclosed