SCHEMBL14214865

SCHEMBL14214865

Nc1nc(C2=CC=NCC2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
ALDH1A1 P00352 7/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 5/20 0.41
HSD17B10 Q99714 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 3/20 0.37
CYP3A4 P08684 2/20 0.37
GFER P55789 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL20390649 0.71 ALDH1A1 (0.44) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL13984050 0.71
SCHEMBL10719025 0.68 ALDH1A1 (0.61) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL24107845 0.64 MAPT (0.41) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL10696282 0.63 SIGMAR1 (0.42) ALDH1A1LMNAHTT
SCHEMBL13076339 0.63 ALDH1A1 (0.43) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1771825 0.61 ALDH1A1 (0.79) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL10699144 0.60 CHRM2 (0.41)
SCHEMBL13189792 0.59 MPL (0.41) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL23610361 0.59 ALDH1A1 (0.83) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed