SCHEMBL11337650

SCHEMBL11337650

CSc1nncc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
GAA P10253 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TNFSF10 P50591 1/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 6/20 0.47
C1S P09871 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CASP1 P29466 1/20 0.40
LMNA P02545 2/20 0.40
MBD2 Q9UBB5 1/20 0.39
POLB P06746 1/20 0.39
STAT3 P40763 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL11339198 0.78 ALDH1A1 (0.73) ALDH1A1L3MBTL1GAACYP1A2CYP2C9
SCHEMBL29802671 0.78 ALDH1A1 (0.63) ALDH1A1L3MBTL1GAACYP1A2CYP2C9
SCHEMBL23093193 0.78 ALDH1A1 (0.63) ALDH1A1L3MBTL1GAACYP1A2CYP2C9
SCHEMBL15309769 0.78 TNFSF10 (0.49) ALDH1A1GAACYP1A2CYP2C19TNFSF10
SCHEMBL11337642 0.76 ALDH1A1 (0.71) ALDH1A1L3MBTL1GAACYP1A2CYP2C9
SCHEMBL11336014 0.76 L3MBTL1 (0.71) ALDH1A1L3MBTL1GAACYP1A2CYP2C9
SCHEMBL2324818 0.76 ALDH1A1 (0.70) ALDH1A1L3MBTL1GAACYP1A2CYP2C9
SCHEMBL22322825 0.74 ALDH1A1 (0.68) ALDH1A1L3MBTL1GAACYP1A2CYP2C9
SCHEMBL11340045 0.74 ALDH1A1 (0.67) ALDH1A1L3MBTL1GAACYP1A2CYP2C9
SCHEMBL11338836 0.74 ALDH1A1 (0.67) ALDH1A1L3MBTL1GAACYP1A2CYP2C9

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-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US disclosed