SCHEMBL7958183

SCHEMBL7958183

O=C(O)c1cccc(NC(Cc2ccc(-c3ccccc3)cc2)c2cnc[nH]2)c1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.46
FTO Q9C0B1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM5B Q9UGL1 1/20 0.40
FNTA P49354 2/20 0.39
PGGT1B P53609 2/20 0.39
HCAR2 Q8TDS4 2/20 0.39
CYP17A1 P05093 1/20 0.38
CXCR2 P25025 1/20 0.37
CPB2 Q96IY4 3/20 0.37
CPB1 P15086 1/20 0.36
AGTR2 P50052 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL7969211 0.91 CPA1 (0.42) CPA1FTOKDM4EALDH1A1LMNA
SCHEMBL7973949 0.91 FTO (0.42) CPA1FTOKDM4EALDH1A1LMNA
SCHEMBL7968421 0.68 CPA1 (0.40) CPA1KDM4EALDH1A1SMN1; SMN2KDM4C
SCHEMBL7971542 0.67 CPA1 (0.39) CPA1KDM4EALDH1A1LMNAFNTA
SCHEMBL6154631 0.63 DHODH (0.77) KDM4EALDH1A1LMNASMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL8763128 0.63 CPA1 (0.97) CPA1CPB2CPB1
SCHEMBL18912253 0.62 NPC1 (0.66) FTOALDH1A1SMN1; SMN2KDM4C
SCHEMBL8764039 0.62 CPA1 (0.72) CPA1CPB2CPB1
SCHEMBL6853270 0.61 CXCR2 (0.77) KDM4EALDH1A1LMNASMN1; SMN2CXCR2
SCHEMBL11498895 0.61 ALDH1A1 (0.77) KDM4EALDH1A1KDM4CKDM5BHCAR2

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
WO-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed