SCHEMBL18537652

SCHEMBL18537652

CNc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2nc3c(cc12)CN(C)CC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SNCA P37840 2/20 0.51
MEN1 O00255 2/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
TP53 P04637 2/20 0.44
ADORA2A P29274 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SYK P43405 1/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 1/20 0.43
SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL429342 0.90 MAPT (0.70) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL19000074 0.79 MAPT (0.62) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL22645034 0.78 NPC1 (0.58) KMT2AMEN1NPC1RAB9ACYP2C19
SCHEMBL22644972 0.78 NPC1 (0.55) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL22645032 0.77 NPC1 (0.54) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL22645033 0.76 NPC1 (0.59) KMT2ASNCAMEN1NPC1RAB9A
SCHEMBL22645038 0.76 NPC1 (0.53) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL22644969 0.76 TRPV1 (0.53) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL424896 0.75 MAPT (0.83) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL22644968 0.75 NPC1 (0.58) MAPTALDH1A1KMT2AMEN1NPC1

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-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed