SCHEMBL9635890

SCHEMBL9635890

Nc1ccc(Oc2ncc(Br)cn2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.38
TSHR P16473 1/20 0.38
GRM4 Q14833 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MPO P05164 1/20 0.36
TPO P07202 1/20 0.36
EPX P11678 1/20 0.36
LPO P22079 1/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 3/20 0.36
POLB P06746 3/20 0.36
PDE7A Q13946 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 3/20 0.34
MAPT P10636 1/20 0.34
SYK P43405 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL10610427 0.87 CYP3A4 (0.42) CYP3A4TSHRGRM4CYP1A2CYP2C19
SCHEMBL631806 0.81 ALDH1A1 (0.52) CYP3A4TSHRGRM4CYP1A2ALDH1A1
SCHEMBL17050467 0.81 KDM4E (0.43) CYP3A4TSHRGRM4ALDH1A1MPO
SCHEMBL9770766 0.81 CYP1A2 (0.47) CYP3A4CYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL17050472 0.78 HPGD (0.48) CYP3A4CYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL10506972 0.77 GAA (0.42) TSHRALDH1A1KMT2AGAAPOLB
SCHEMBL1964539 0.76 CYP3A4 (0.56) CYP3A4TSHRALDH1A1KMT2AGAA
SCHEMBL10495488 0.75 RET (0.35) CYP3A4TSHRCYP1A2CYP2C19ALDH1A1
SCHEMBL27273576 0.75 ALDH1A1 (0.56) CYP3A4GRM4CYP1A2ALDH1A1KMT2A
SCHEMBL22069698 0.75 MAPT (0.57) CYP3A4TSHRCYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192235-B1 BENZOYL UREA COMPOUNDS, PROCESS FOR THEIR PRODUCTION, AND ANTITUMOROUS COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-11-23 EP claimed
EP-0192235-A1 Benzoyl urea compounds, process for their production, and antitumorous compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1986-08-27 EP claimed
EP-0192263-B1 READILY ABSORBABLE PHARMACEUTICAL COMPOSITION ISHIHARA SANGYO KAISHA LTD. (JP) 1992-07-29 EP disclosed
US-4987135-A Leukemia, melanoma ISHIHARA SANGYO KAISHA LTD. (JP) 1991-01-22 US disclosed
EP-0192235-B1 BENZOYL UREA COMPOUNDS, PROCESS FOR THEIR PRODUCTION, AND ANTITUMOROUS COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-11-23 EP disclosed
EP-0335408-A2 Substituted benzene derivatives, processes for their production and antitumour compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-10-04 EP disclosed
US-4849425-A ANTITUMOR ISHIHARA SANGYO KAISHA LTD. (JP) 1989-07-18 US disclosed
US-4727077-A Benzoyl urea compounds, process for their production, and antitumorous compositions containing them ISHIHARA SANGYO KAISHA LTD. (JP) 1988-02-23 US disclosed
EP-0192235-A1 Benzoyl urea compounds, process for their production, and antitumorous compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1986-08-27 EP disclosed
EP-0192263-A2 Readily absorbable pharmaceutical composition ISHIHARA SANGYO KAISHA LTD. (JP) 1986-08-27 EP disclosed