SCHEMBL7707825

SCHEMBL7707825

CCCc1[nH]c2cc(C(=O)NCc3ccccc3Cl)ccc2c1C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.54
CASP6 P55212 1/20 0.53
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.48
MAPK3 P27361 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 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
SCHEMBL8554376 0.91 ROCK2 (0.56) ROCK2SMN1; SMN2CASP6MAPK1LMNA
SCHEMBL7701986 0.91 ROCK2 (0.54) ROCK2SMN1; SMN2CASP6MAPK1LMNA
SCHEMBL18073895 0.90 ROCK2 (0.56) ROCK2SMN1; SMN2CASP6MAPK1LMNA
SCHEMBL8556812 0.89 ROCK2 (0.60) ROCK2SMN1; SMN2CASP6MAPK1LMNA
SCHEMBL8555167 0.85 ROCK2 (0.63) ROCK2SMN1; SMN2CASP6MAPK1LMNA
SCHEMBL8551666 0.84 KDM4E (0.45) ROCK2SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL8556569 0.79 ROCK2 (0.63) ROCK2SMN1; SMN2CASP6MAPK1LMNA
SCHEMBL8555308 0.78 ROCK2 (0.62) ROCK2SMN1; SMN2CASP6MAPK1LMNA
SCHEMBL8629096 0.77 MAPT (0.55) LMNAALDH1A1HTTPOLBKDM4E
SCHEMBL8555953 0.77 ROCK2 (0.56) ROCK2SMN1; SMN2CASP6MAPK1LMNA

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-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed