SCHEMBL20995545

SCHEMBL20995545

CCOc1cnn(C)c(=O)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
KAT2B Q92831 8/20 0.49
BRD9 Q9H8M2 4/20 0.49
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.43
BRD4 O60885 6/20 0.42
BPTF Q12830 6/20 0.42
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40

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
SCHEMBL12826267 0.81 GAA (0.53) KAT2BMAPTGAAALDH1A1NPBWR1
SCHEMBL466352 0.80 ALDH1A1 (0.55) ATMKAT2BBRD9MAPTGAA
SCHEMBL16998536 0.79 SMN1; SMN2 (0.53) ATMGAAALDH1A1NPBWR1MCHR1
SCHEMBL16901933 0.76 ATM (0.42) ATMKAT2BBRD9MAPTGAA
SCHEMBL1460657 0.75 NPBWR1 (0.60) MAPTGAAALDH1A1NPBWR1MCHR1
SCHEMBL9235020 0.74 ALDH1A1 (0.50) ATMKAT2BBRD9MAPTGAA
SCHEMBL8282652 0.74 KAT2B (0.55) KAT2BBRD9MAPTGAAPKM
SCHEMBL15564805 0.72 BPTF (0.42) ATMKAT2BBRD9MAPTGAA
SCHEMBL979278 0.71 KAT2B (0.60) KAT2BBRD9MAPTGAAPKM
SCHEMBL3028307 0.70 RAB9A (0.66) MAPTGAAPKMALDH1A1NPBWR1

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
EP-3483144-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME Sumitomo Chemical Company, Limited (JP) 2019-05-15 EP disclosed