SCHEMBL8944987

SCHEMBL8944987

Cn1ccc2cc(NC(=O)Nc3cnccn3)ccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
KMT2A Q03164 6/20 0.71
MEN1 O00255 4/20 0.71
HTR2B P41595 3/20 0.71
TP53 P04637 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2D6 P10635 2/20 0.71
MAPT P10636 2/20 0.71
CYP2C19 P33261 2/20 0.71
RECQL P46063 2/20 0.71
TDP1 Q9NUW8 1/20 0.71
HTR2C P28335 4/20 0.69
RAB9A P51151 7/20 0.60
NPC1 O15118 4/20 0.57
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL9400613 0.84 HTR2B (0.65) KDM4EKMT2AMEN1HTR2BTP53
SCHEMBL8944979 0.83 HTR2B (0.74) KDM4EKMT2AMEN1HTR2BTP53
SCHEMBL29391435 0.83 MAPT (1.00) KDM4EKMT2AMEN1HTR2BTP53
SCHEMBL173735 0.83 MAPT (1.00) KDM4EKMT2AMEN1HTR2BTP53
SCHEMBL29729330 0.83 MAPT (1.00) KDM4EKMT2AMEN1HTR2BTP53
Hydrochloric Acid SCHEMBL2116886 0.82 HTR2C (1.00) KDM4EKMT2AMEN1HTR2BTP53
Hydrochloric Acid SCHEMBL31077673 0.82 HTR2C (1.00) KDM4EKMT2AMEN1HTR2BTP53
SCHEMBL8944943 0.81 HTR2B (0.75) KDM4EKMT2AMEN1HTR2BTP53
SCHEMBL8944894 0.79 HTR2B (0.72) KDM4EKMT2AMEN1HTR2BTP53
SCHEMBL8944842 0.79 MAPT (0.67) KDM4EKMT2AMEN1HTR2BTP53

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-5508288-A Indole derivatives as 5HT1C antagonists SMITHKLINE BEECHAM, P.L.C. (GB) 1996-04-16 US disclosed