SCHEMBL8600231

SCHEMBL8600231

CC(C)Oc1ccc2c(Cl)cc(Br)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35

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
SCHEMBL28095943 0.85 GRM2 (0.34) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL5429652 0.83 ALDH1A1 (0.46) FGFR1ALDH1A1KDM4EHPGDLMNA
SCHEMBL8512808 0.83 CYP1A2 (0.49) ALDH1A1KDM4EHPGDLMNACYP3A4
SCHEMBL8599942 0.79 KMT2A (0.46) ALDH1A1KDM4EHPGDLMNAGAA
SCHEMBL8599049 0.77 FGFR1 (0.42) FGFR1KDM4EL3MBTL1TP53
SCHEMBL8601685 0.77 ALPL (0.42) ALDH1A1KDM4EHPGDGAACYP3A4
SCHEMBL27968960 0.75 FGFR1 (0.41) FGFR1ALDH1A1KDM4EHPGDLMNA
SCHEMBL20588792 0.75 ALDH1A1 (0.40) FGFR1ALDH1A1KDM4EHPGDLMNA
SCHEMBL31095270 0.75 ALDH1A1 (0.40) FGFR1ALDH1A1KDM4EHPGDLMNA
SCHEMBL5433545 0.74 KDM4E (0.46) FGFR1ALDH1A1KDM4EHPGDLMNA

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
US-5773449-A BACTERICIDES FOR HELICOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1998-06-30 US disclosed
EP-0786454-A1 THIOQUINOLONE DERIVATIVE ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1997-07-30 EP disclosed