SCHEMBL9763795

SCHEMBL9763795

O=C(O)C=Cc1ccccc1-c1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.50
MAP2K4 P45985 2/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
IDO1 P14902 2/20 0.49
ALPL P05186 1/20 0.49
GAA P10253 1/20 0.49
TTK P33981 1/20 0.49
MAPK10 P53779 1/20 0.49
MAPK1 P28482 1/20 0.47
MAPKAPK3 Q16644 1/20 0.47
MAPK6 Q16659 1/20 0.47
NFKB1 P19838 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44

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
SCHEMBL300191 0.76 CHEK1 (0.48) AURKAMAP2K4ALDH1A1KDM4EHPGD
SCHEMBL2945140 0.76 CHEK1 (0.48) AURKAMAP2K4ALDH1A1KDM4EHPGD
SCHEMBL31357524 0.75 MAP2K4 (0.60) AURKAMAP2K4ALDH1A1KDM4EHPGD
SCHEMBL5822772 0.75 MAP2K4 (0.60) AURKAMAP2K4ALDH1A1KDM4EHPGD
SCHEMBL9297750 0.75 NFKB1 (0.67) KDM4EGAANFKB1CA1CA2
SCHEMBL17583974 0.71 MAP2K4 (0.51) AURKAMAP2K4ALDH1A1KDM4EHPGD
SCHEMBL8641080 0.71 NFKB1 (0.72) KDM4EGAAMAPK1NFKB1CA1
SCHEMBL9876317 0.71 IDO1 (0.58) AURKAMAP2K4ALDH1A1KDM4EHPGD
SCHEMBL2433472 0.70 PTGER3 (0.66) ALDH1A1KDM4EHPGDGAANFKB1
SCHEMBL181054 0.70 PTGER3 (0.66) ALDH1A1KDM4EHPGDGAANFKB1

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
JP-2229170-A None JP disclosed
US-4990174-A N-phenyltetrahydroindazole derivatives herbicidal compositions and use BASF AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
JP-H02229170-A N-PHENYLTETRAHYDROINDAZOLE DERIVATIVE AND HERBICIDE CONTAINING THE SAME BASF AG 1990-09-11 JP disclosed