SCHEMBL9756980

SCHEMBL9756980

O=C(C=Cc1ccco1)Nc1nnn[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.58
RAB9A P51151 14/20 0.58
SMN1; SMN2 Q16637 13/20 0.58
KMT2A Q03164 12/20 0.58
MEN1 O00255 11/20 0.58
POLB P06746 8/20 0.58
KDM4E B2RXH2 8/20 0.58
TDP1 Q9NUW8 7/20 0.58
MAPT P10636 7/20 0.58
L3MBTL1 Q9Y468 6/20 0.58
LMNA P02545 4/20 0.58
BLM P54132 1/20 0.58
NPSR1 Q6W5P4 2/20 0.57
PKM P14618 1/20 0.57
ALDH1A1 P00352 5/20 0.56
RECQL P46063 3/20 0.54
HPGD P15428 3/20 0.54
GAA P10253 2/20 0.54
TP53 P04637 1/20 0.53
APEX1 P27695 1/20 0.51

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
SCHEMBL9756847 0.78 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9756853 0.76 KMT2A (0.46) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9756976 0.75 JUN (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9756888 0.74 NAMPT (0.55) NPC1RAB9AKDM4EMAPT
SCHEMBL9756826 0.74 RAB9A (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL11704717 0.73 RAB9A (0.69) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL11704721 0.73 RAB9A (0.69) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8130672 0.73 RAB9A (0.52) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL21959213 0.73 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL493691 0.73 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US claimed
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed