SCHEMBL11277802

SCHEMBL11277802

Cc1ccc(C(=O)CCCBr)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.64
KMT2A Q03164 6/20 0.60
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MEN1 O00255 4/20 0.50
CTNNB1 P35222 2/20 0.50
WNT3A P56704 2/20 0.50
POLB P06746 1/20 0.49
HSD17B3 P37058 3/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL7736066 0.94 GSK3B (0.62) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL7383618 0.94 GSK3B (0.62) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL11823872 0.88 GSK3B (0.51) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL15199328 0.88 GSK3B (0.69) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL9419411 0.87 KMT2A (0.69) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL8402203 0.85 KMT2A (0.67) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL16552778 0.83 KMT2A (0.83) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL10366079 0.82 NPC1 (0.76) NPC1RAB9APOLBHSD17B3LMNA
SCHEMBL4839086 0.82 HSD17B3 (0.71) GSK3BKMT2ANPC1RAB9AMEN1
SCHEMBL11280840 0.82 GSK3B (0.63) GSK3BKMT2ANPC1RAB9ALMNA

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
US-4353900-A HYPOTENSIVE, ANTIARRHYTHMIA, CARDIOTONIC, VASODILATORS SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed