SCHEMBL8552768

SCHEMBL8552768

O=C1COc2ccc(-c3ccccc3)cc2N1Cc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.61
GRM5 P41594 2/20 0.53
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PIK3CG P48736 2/20 0.49
KMO O15229 1/20 0.49
USP2 O75604 1/20 0.48
THRB P10828 1/20 0.48
CASP6 P55212 1/20 0.47
PPARG P37231 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8554874 0.86 USP2 (0.63) GRM5CYP1A2GAACYP2C9CYP2C19
SCHEMBL5349824 0.82 BRD4 (0.56) BRD4CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL18581261 0.78 MAPT (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL29790799 0.78 MAPT (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3660420 0.78 BRD4 (0.58) BRD4MEN1KMT2AALDH1A1LMNA
SCHEMBL23356449 0.78 KDM4E (0.60) BRD4CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL18581717 0.78 ALDH1A1 (0.58) BRD4MEN1KMT2AALDH1A1LMNA
SCHEMBL29790719 0.78 ALDH1A1 (0.58) BRD4MEN1KMT2AALDH1A1LMNA
SCHEMBL27377932 0.77 CYP1A2 (0.51) BRD4GRM5CYP1A2GAACYP2C9
SCHEMBL18497021 0.76 BRD4 (1.00) BRD4PIK3CG

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-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed