SCHEMBL10742838

SCHEMBL10742838

CCCC[Sn](CCCC)(CCCC)Sc1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.56
▸ MAOB P27338 3/20 0.52
▸ HPGD P15428 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ TNKS2 Q9H2K2 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL10737935 0.83 KMT2A (0.46) PARP1MAOBHPGDALDH1A1NPSR1
SCHEMBL27397831 0.76 MAPK1 (0.70) PARP1MAOBHPGDALDH1A1TNKS2
SCHEMBL5107543 0.76 MAOB (0.70) PARP1MAOBHPGDALDH1A1TNKS2
SCHEMBL290313 0.74 MAOB (0.62) PARP1MAOBHPGDALDH1A1TNKS2
SCHEMBL29831694 0.74 MAOB (0.62) PARP1MAOBHPGDALDH1A1TNKS2
SCHEMBL17153738 0.73 MAOB (0.66) PARP1MAOBHPGDALDH1A1TNKS2
SCHEMBL168776 0.72 PARP1 (1.00) PARP1TNKS2MEN1KMT2A
SCHEMBL29900512 0.72 PARP1 (1.00) PARP1TNKS2MEN1KMT2A
SCHEMBL10733969 0.71 PDE7A (0.63) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL10735119 0.71 TDP1 (0.57) HPGDALDH1A1NPSR1MAPTKDM4E

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-4652558-A FUNGICIDES, INSECTICIDES CHEVRON RESEARCH COMPANY (US) 1987-03-24 — — US disclosed
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