SCHEMBL7239085

SCHEMBL7239085

CC(=O)c1cnn(-c2c(Cl)cncc2Cl)c1C

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.75
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.40
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 4/20 0.38
PTGS2 P35354 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.35
SLC9A1 P19634 1/20 0.35
SLC9A2 Q9UBY0 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
SCHEMBL7229595 0.86 MAPK1 (1.00) MAPK1MAPTHPGDKDM4EALDH1A1
SCHEMBL13832785 0.74 MAPK1 (0.71) MAPK1MAPTHPGDKDM4EALDH1A1
SCHEMBL1575018 0.74 MAPK1 (0.61) MAPK1MAPTHPGDALDH1A1RAB9A
SCHEMBL9308949 0.73 MAPK1 (0.78) MAPK1HPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL8339625 0.73 MAPK1 (0.56) MAPK1ALDH1A1RAB9ANPC1PTGS2
SCHEMBL7239726 0.72 MAPK1 (0.73) MAPK1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL7233447 0.72 MAPK1 (0.55) MAPK1MAPTHPGDKDM4EALDH1A1
SCHEMBL15933249 0.71 MAPK1 (0.54) MAPK1MAPTHPGDALDH1A1RAB9A
SCHEMBL1574814 0.71 MAPK1 (0.54) MAPK1MAPTHPGDKDM4EALDH1A1
SCHEMBL6345488 0.71 MAPK1 (0.70) MAPK1MAPTHPGDALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552018-B1 As antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
US-6169086-B1 AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-1022270-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-26 EP disclosed