SCHEMBL9500822

SCHEMBL9500822

c1nc2c(s1)CNCC2.c1nc2c(s1)CNCC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
MAPK1 P28482 1/20 0.35
PDCD1 Q15116 4/20 0.32
CD274 Q9NZQ7 4/20 0.32
APEX1 P27695 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CD44 P16070 1/20 0.30
MAOB P27338 1/20 0.30
HTR2C P28335 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
SCHEMBL397802 1.00
Hydrochloric Acid SCHEMBL12485568 0.98 DRD2 (0.40) PNMTDRD2DRD3MAPK1PDCD1
Hydrochloric Acid SCHEMBL22395725 0.98 DRD2 (0.40) PNMTDRD2DRD3MAPK1PDCD1
SCHEMBL3725694 0.94 DRD2 (0.38) PNMTDRD2DRD3MAPK1PDCD1
Urea SCHEMBL21906543 0.89 PNMT (0.40) PNMTDRD2DRD3MAPK1APEX1
SCHEMBL3582148 0.88 DRD2 (0.39) PNMTDRD2DRD3MAPK1
SCHEMBL550241 0.85 DRD2 (0.46) PNMTDRD2DRD3MAPK1HTR2C
Hydrochloric Acid SCHEMBL550220 0.83 DRD2 (0.44) PNMTDRD2DRD3MAPK1
SCHEMBL1019988 0.83
Hydrochloric Acid SCHEMBL16054017 0.82 PNMT (0.44) PNMTDRD2DRD3MAPK1PDCD1

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
US-5214051-A Thiazolyl and oxazolyl[5,4-c]piperidyl-substituted quinolone-carboxylic acid and related analogs thereof having antibacterial properties are disclosed PFIZER INC. (US) 1993-05-25 US disclosed