SCHEMBL27397296

SCHEMBL27397296

Cc1ccc(NC(N)=O)c(C)c1CN

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HPGD P15428 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ NR3C2 P08235 1/20 0.33
▸ GFER P55789 1/20 0.33

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
SCHEMBL1954787 0.80 POLB (0.46) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL29581696 0.80 POLB (0.46) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL10786785 0.77 POLB (0.43) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL2938763 0.77 POLB (0.43) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL28784403 0.75 CLCN2 (0.44) POLBALDH1A1MAPTMAPK1KIF11
SCHEMBL9686214 0.72 POLB (0.51) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL6670111 0.71 POLB (0.42) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL1140606 0.71 MAPT (0.61) POLBALDH1A1MAPTHSD17B10KDM4E
SCHEMBL29892467 0.71 MAPT (0.61) POLBALDH1A1MAPTHSD17B10KDM4E
SCHEMBL20798335 0.70 ALDH1A1 (0.47) POLBALDH1A1MAPTHSD17B10HPGD

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
CN-1075717-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1993-09-01 — — CN disclosed
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