SCHEMBL28098672

SCHEMBL28098672

CCc1cc(C(=O)OF)ccc1NNC(=O)c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 7/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ ALDH1A1 P00352 10/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ CFTR P13569 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 10/20 0.39
▸ HPGD P15428 4/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ USP2 O75604 1/20 0.37

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
SCHEMBL28098678 0.86 GAA (0.46) GAARAB9ANPC1ALDH1A1MAPT
SCHEMBL16797142 0.79 ALDH1A1 (0.51) GAARAB9ANPC1ALDH1A1HSD17B10
SCHEMBL27840194 0.73 ALDH1A1 (0.41) GAARAB9ANPC1ALDH1A1HSD17B10
SCHEMBL3160005 0.71 GAA (0.72) GAARAB9ANPC1ALDH1A1MAPT
SCHEMBL27739015 0.71 ALDH1A1 (0.46) GAARAB9ANPC1ALDH1A1HSD17B10
SCHEMBL16797151 0.70 ALDH1A1 (0.58) GAARAB9ANPC1ALDH1A1HSD17B10
SCHEMBL30539447 0.70 ALDH1A1 (0.55) GAARAB9ANPC1ALDH1A1HSD17B10
SCHEMBL11487222 0.69 MAPT (0.54) GAARAB9ANPC1ALDH1A1MAPT
SCHEMBL27792549 0.68 CA12 (0.41) ALDH1A1POLBMAPK1TDP1KDM4E
SCHEMBL3158438 0.68 GAA (0.61) GAARAB9ANPC1ALDH1A1HSD17B10

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-105980364-A Bicyclic heteroaryl indole analogs useful as ROR γ modulators 格兰马克药品股份有限公司 2016-09-28 — — CN disclosed
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