SCHEMBL7356830

SCHEMBL7356830

Cn1nc(C(=O)OCc2ccccc2)c2cccc(OCc3ccccc3)c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.58
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ ADORA3 P0DMS8 2/20 0.43
▸ JMJD6 Q6NYC1 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL7354904 0.89 HTR3A (0.61) HTR3AKMT2AMEN1ALDH1A1MAPT
SCHEMBL25079149 0.77 HTR3A (0.48) HTR3AMAPTADORA2AMAOBADORA3
SCHEMBL30257342 0.77 ADORA1 (0.56) HTR3ASMN1; SMN2MAPTADORA2AADORA3
SCHEMBL8714077 0.74 ELANE (0.50) HTR3AKMT2AMEN1KDM4EADORA3
SCHEMBL20154228 0.73 MAPT (0.57) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL2835796 0.72 POLB (0.57) KMT2ALMNAALDH1A1L3MBTL1TSHR
SCHEMBL8877290 0.72 HTR3A (0.47) HTR3AMAPTADORA2AKDM4EADORA3
SCHEMBL26179355 0.72 KMT2A (0.55) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL23505923 0.72 KMT2A (0.55) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3926837 0.72 TDP1 (0.58) KMT2ALMNAALDH1A1MAPTL3MBTL1

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
WO-1991001316-A1 NEW 9-AZABICYCLO[3.3.1]NONANE-DERIVATE BEECHAM GROUP PLC (GB) 1991-02-07 — — WO disclosed
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