SCHEMBL3355671

SCHEMBL3355671

Cc1ccc2sc(CN)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.65
UBE2T Q9NPD8 1/20 0.58
ASIC3 Q9UHC3 1/20 0.58
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
TRPV1 Q8NER1 2/20 0.47
DYRK1A Q13627 1/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
GAA P10253 3/20 0.44
MAPK1 P28482 1/20 0.44
AKR1B1 P15121 1/20 0.42
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL19941789 0.86 RAB9A (0.61) LOXL2UBE2TASIC3MAPTSMN1; SMN2
SCHEMBL10151628 0.84 RAB9A (0.66) LOXL2UBE2TASIC3MAPTSMN1; SMN2
SCHEMBL3268365 0.82 SMN1; SMN2 (0.47) LOXL2UBE2TASIC3MAPTSMN1; SMN2
SCHEMBL13986778 0.82 TRPV1 (0.55) LOXL2MAPTSMN1; SMN2TP53TRPV1
SCHEMBL15724733 0.82 MAPT (0.47) LOXL2UBE2TASIC3MAPTSMN1; SMN2
SCHEMBL12600035 0.82 SMN1; SMN2 (0.47) LOXL2UBE2TASIC3MAPTSMN1; SMN2
SCHEMBL203263 0.82 MAPT (0.47) LOXL2UBE2TASIC3MAPTSMN1; SMN2
SCHEMBL19067624 0.81 MAPT (0.46) LOXL2MAPTSMN1; SMN2TP53TRPV1
SCHEMBL3250178 0.80 LOXL2 (0.67) LOXL2UBE2TASIC3MAPTSMN1; SMN2
SCHEMBL24234046 0.79 MAPT (0.45) LOXL2MAPTSMN1; SMN2TP53TRPV1

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-2141164-A1 New 1,2,4-triazine derivatives and biological applications thereof Mutabilis (FR) 2010-01-06 EP disclosed