SCHEMBL8944931

SCHEMBL8944931

Cn1ccc2cc(NC(=O)Nc3cccc4cccnc34)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
MAPT P10636 6/20 0.64
HTR2B P41595 3/20 0.64
TP53 P04637 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
RECQL P46063 2/20 0.64
KDM4E B2RXH2 2/20 0.64
HTR2C P28335 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.59
MAPK1 P28482 2/20 0.58
MECP2 P51608 1/20 0.58
POLB P06746 4/20 0.55
TRPV1 Q8NER1 1/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 4/20 0.53

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
SCHEMBL7098135 0.87 HTR2C (0.76) MEN1KMT2AMAPTHTR2BTP53
Hydrochloric Acid SCHEMBL5964203 0.86 HTR2C (0.74) MEN1KMT2AMAPTHTR2BTP53
SCHEMBL9544360 0.85 MAPT (0.65) MEN1KMT2AMAPTHTR2BTP53
SCHEMBL8944851 0.85 HTR2C (0.86) MEN1KMT2AMAPTHTR2BTP53
Hydrochloric Acid SCHEMBL9400672 0.84 HTR2C (0.65) MEN1KMT2AMAPTHTR2BTP53
Hydrochloric Acid SCHEMBL8944881 0.83 HTR2C (0.69) MEN1KMT2AMAPTHTR2BTP53
Hydrochloric Acid SCHEMBL7358347 0.82 NPC1 (0.60) MEN1KMT2AMAPTHTR2BTP53
SCHEMBL8945056 0.81 MAPT (0.67) MEN1KMT2AMAPTHTR2BTP53
SCHEMBL9400708 0.80 HTR2B (0.66) MEN1KMT2AMAPTHTR2BTP53
SCHEMBL9400613 0.79 HTR2B (0.65) MEN1KMT2AMAPTHTR2BTP53

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