SCHEMBL8696980

SCHEMBL8696980

CCCCN(CCCC)C(=S)Nc1nn(CCC)cc1C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD2 Q15562 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 5/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 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
SCHEMBL8692506 0.96 TEAD2 (0.39) TEAD2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL8693972 0.93 ALDH1A1 (0.42) TEAD2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL8694568 0.91 TEAD2 (0.39) TEAD2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL8696011 0.90 KDM4E (0.40) TEAD2ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL8696060 0.87 TEAD2 (0.37) TEAD2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL8698769 0.86 ALDH1A1 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2FOS
SCHEMBL8693715 0.85 TEAD2 (0.40) TEAD2KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL8694190 0.83 KDM4E (0.41) TEAD2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL8693986 0.82 ALDH1A1 (0.43) TEAD2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL8696856 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAKMT2AL3MBTL1

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-5849779-A Pyrazole derivatives and their pharmaceutical use JAPAN ENERGY CORPORATION (JP) 1998-12-15 US disclosed
EP-0810217-A1 Pyrazole derivatives and their pharmaceutical use as smooth muscle cell growth inhibitors JAPAN ENERGY CORPORATION (JP) 1997-12-03 EP disclosed