SCHEMBL10696924

SCHEMBL10696924

CCOc1ccc(NC(=O)c2ccc(CNC(=N)N)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.65
NPC1 O15118 5/20 0.64
RAB9A P51151 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
TP53 P04637 1/20 0.64
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 1/20 0.62
KMT2A Q03164 4/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 4/20 0.57
POLB P06746 1/20 0.57
EPHX2 P34913 1/20 0.57
NR1H4 Q96RI1 1/20 0.57
MEN1 O00255 2/20 0.56
ADRB2 P07550 1/20 0.56
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
SAE1 Q9UBE0 1/20 0.55
UBA2 Q9UBT2 1/20 0.55

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
SCHEMBL24892110 0.87 KMT2A (0.56) NAMPTNPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL10696005 0.86 NPC1 (0.62) NAMPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4100874 0.84 PRSS1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL10694927 0.84 TRPV1 (0.52) NAMPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10695195 0.84 NAMPT (0.62) NAMPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30180871 0.83 KMT2A (0.63) NAMPTNPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL10693788 0.82 NAMPT (0.60) NAMPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL10694980 0.81 KMT2A (0.55) NPC1RAB9ASMN1; SMN2TP53KDM4E
Hydrochloric Acid SCHEMBL10696567 0.81 MEN1 (0.50) NAMPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10695177 0.81 TRPV1 (0.59) NPC1RAB9AKDM4E

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
EP-0268267-A2 Guanidinomethylbenzoic acid derivatives, compositions containing the same, processes for preparing the same, and the use of the same in the manufacture of medicaments of therapeutic value NIPPON HYPOX LABORATORIES INCORPORATED (JP) 1988-05-25 EP disclosed