Thiophene

Thiophene

SCHEMBL27918643

c1cc2cnc3cccc4cnc(c1)c2c43.c1ccsc1

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
GPR3 P46089 1/20 0.42
PDGFRB P09619 4/20 0.40
PDGFRA P16234 4/20 0.40
CYP1A2 P05177 2/20 0.35
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK10 P53779 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EGFR P00533 1/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
BIRC5 O15392 1/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL4454194 0.87 KDM4E (0.52) KDM4EGPR3PDGFRBPDGFRACYP1A2
SCHEMBL29580557 0.80 CYP1A2 (0.52) KDM4EGPR3PDGFRBPDGFRACYP1A2
SCHEMBL29521539 0.80 CYP1A2 (0.52) KDM4EGPR3PDGFRBPDGFRACYP1A2
SCHEMBL5466768 0.80 CYP1A2 (0.52) KDM4EGPR3PDGFRBPDGFRACYP1A2
SCHEMBL29845939 0.73 KDM4E (0.41) KDM4EGPR3PDGFRBPDGFRACYP1A2
SCHEMBL28066054 0.73 KDM4E (0.41) KDM4EGPR3PDGFRBPDGFRACYP1A2
SCHEMBL19534727 0.73 CYP1A2 (0.44) KDM4EGPR3PDGFRBPDGFRACYP1A2
SCHEMBL28066124 0.69 KDM4E (0.41) KDM4EGPR3CYP1A2NPC1RAB9A
Phenazine SCHEMBL29186435 0.69 MAPT (0.65) KDM4ENPC1ALDH1A1GAAHPGD
Phenazine SCHEMBL28190824 0.69 MAPT (0.65) KDM4ENPC1ALDH1A1GAAHPGD

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
CN-103319695-A Conjugated polymer containing 4,9-diaza-pyrene and preparation method and application thereof UNIV SOUTH CHINA TECH 2013-09-25 CN claimed
CN-103319695-A Conjugated polymer containing 4,9-diaza-pyrene and preparation method and application thereof UNIV SOUTH CHINA TECH 2013-09-25 CN disclosed