SCHEMBL8570818

SCHEMBL8570818

COc1ccc(NC(=O)c2cccc(C(=O)CCCCCl)c2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
TOP1 P11387 2/20 0.49
MT-CO2 P00403 1/20 0.49
PTGS2 P35354 1/20 0.49
AHR P35869 1/20 0.49
GAA P10253 3/20 0.49
METAP2 P50579 1/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PNLIP P16233 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.48
JAK2 O60674 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8570812 0.74 GRM4 (0.54) NPC1RAB9AKMT2AMEN1PTGS2
SCHEMBL6300537 0.73 RAB9A (0.75) NPC1RAB9AKMT2AMEN1TOP1
SCHEMBL10657116 0.72 THRB (0.49) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL1499710 0.71 MAPT (0.70) NPC1RAB9AKMT2AMEN1TOP1
SCHEMBL3738802 0.71 PDE4B (0.68) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL11380581 0.71 ERCC5 (0.42) KMT2AMEN1GAAKDM4EL3MBTL1
SCHEMBL5022887 0.70 NPC1 (0.65) NPC1RAB9AKMT2AMEN1AHR
SCHEMBL7142354 0.70 HDAC8 (0.68) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL11386262 0.69 ERCC5 (0.44) KMT2AMEN1GAAKDM4EL3MBTL1
SCHEMBL8567801 0.69 KCNK3 (0.55) NPC1RAB9AKMT2AMEN1KDM4E

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-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed