SCHEMBL8980698

SCHEMBL8980698

CC(=O)OCCN1COc2cc(C(F)(F)F)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
ALDH1A1 P00352 3/20 0.39
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CASP3 P42574 1/20 0.36
PRF1 P14222 1/20 0.36
MAPT P10636 1/20 0.36
TERT O14746 1/20 0.36
CYP2C9 P11712 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CHRM3 P20309 2/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RIPK1 Q13546 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
SCHEMBL8981007 0.84 ALDH1A1 (0.42) ALDH1A1CASP3PRF1MAPTCYP2C9
SCHEMBL8981302 0.83 ALDH1A1 (0.41) ALDH1A1CASP3PRF1KDM4EUSP2
SCHEMBL8980589 0.82 PRMT5 (0.45) PRMT5WDR77ROCK2ROCK1TERT
SCHEMBL8638816 0.80 ALDH1A1 (0.41) PRMT5WDR77ALDH1A1CASP3MAPT
SCHEMBL9171003 0.78 MEN1 (0.41) ALDH1A1PRF1MAPTCYP2C9LMNA
SCHEMBL9173152 0.77 ALDH1A1 (0.39) ALDH1A1PRF1MAPTKDM4EUSP2
SCHEMBL8981116 0.71 RXFP1 (0.39) ALDH1A1MAPTLMNAHPGDHSD17B10
SCHEMBL9493171 0.69 ALDH1A1 (0.36) ALDH1A1CASP3HPGDSLC18A3
SCHEMBL8658972 0.69 SMN1; SMN2 (0.39) ALDH1A1MAPTLMNARECQLKDM4E
SCHEMBL8981074 0.68 LMNA (0.39) PRMT5WDR77ALDH1A1CASP3MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed