SCHEMBL7775979

SCHEMBL7775979

CCc1ccc(C=Nc2ccc(CC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
THRB P10828 2/20 0.53
KMT2A Q03164 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAOA P21397 1/20 0.47
S100B P04271 1/20 0.46
CA2 P00918 7/20 0.46
CA1 P00915 5/20 0.46
CA9 Q16790 2/20 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
SCHEMBL10013522 0.92 ALDH1A1 (0.59) CYP2C9ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL30619658 0.92 ALDH1A1 (0.59) CYP2C9ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL28883303 0.91 CA1 (0.53) CYP2C9ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL11417699 0.90 CA1 (0.54) CYP2C9ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL11421201 0.90 ALDH1A1 (0.58) CYP2C9ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL11421203 0.90 ALDH1A1 (0.58) CYP2C9ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL11417698 0.90 CA1 (0.54) CYP2C9ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL22510551 0.89 CA2 (0.49) CYP2C9ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL24076561 0.88 CYP2C9 (0.49) CYP2C9ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL1129724 0.88 CYP2C9 (0.55) CYP2C9ALDH1A1KDM4EL3MBTL1MEN1

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
EP-0702065-B1 Method for preventing settlement of aquatic fouling organisms NIPPON PAINT CO LTD (JP) 2001-11-28 EP disclosed
EP-1123950-A1 Method for preventing settlement of aquatic fouling organisms Nippon Paint Co., Ltd. (JP) 2001-08-16 EP disclosed
EP-0702065-A2 Method for preventing settlement of aquatic fouling organisms Nippon Paint Co., Ltd. (JP) 1996-03-20 EP disclosed