SCHEMBL9436124

SCHEMBL9436124

CSc1ccc(/C(C#N)=C/C#N)s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.49
PKM P14618 1/20 0.49
LIG1 P18858 1/20 0.49
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9436127 1.00 PLAU (0.49) PLAUPKMLIG1NPC1MAPT
SCHEMBL9269664 0.78 ALDH1A1 (0.30) PLAUPKMLIG1ALDH1A1HPGD
SCHEMBL9269656 0.78 ALDH1A1 (0.30) PLAUPKMLIG1ALDH1A1HPGD
SCHEMBL17240325 0.77 NPC1 (0.37) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL17240319 0.77 NPC1 (0.37) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL28116098 0.75 CES2 (0.44) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL23553995 0.66 PLAU (0.59) PLAUPKMLIG1ALDH1A1HPGD
SCHEMBL5982145 0.66 PLAU (1.00) PLAUPKMLIG1
SCHEMBL9373389 0.66 PKM (0.70) PLAUPKMLIG1NPC1MAPT
SCHEMBL7359603 0.66 PLAU (0.72) PLAUPKMLIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6199833-A None JP disclosed
JP-H06199833-A SUBSTITUTED THIOPHENE AND ITS UTILIZATION HOECHST AG 1994-07-19 JP disclosed