SCHEMBL7707256

SCHEMBL7707256

CCCc1[nH]c2cc(C(=O)NCc3ccccc3Br)ccc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MAPT P10636 5/20 0.46
ROCK2 O75116 3/20 0.45
IMPDH2 P12268 1/20 0.44
EPHX2 P34913 1/20 0.44
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
RIPK1 Q13546 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL8556812 0.79 ROCK2 (0.60) MAPTROCK2TP53SMN1; SMN2ALDH1A1
SCHEMBL7707825 0.76 ROCK2 (0.57) MAPTROCK2TP53SMN1; SMN2ALDH1A1
SCHEMBL8554376 0.76 ROCK2 (0.56) MAPTROCK2TP53SMN1; SMN2POLB
SCHEMBL18073895 0.75 ROCK2 (0.56) MAPTROCK2TP53SMN1; SMN2ALDH1A1
SCHEMBL7701986 0.73 ROCK2 (0.54) MAPTROCK2TP53SMN1; SMN2ALDH1A1
SCHEMBL8629096 0.73 MAPT (0.55) KMT2AMAPTALDH1A1POLBKDM4E
SCHEMBL7707705 0.73 SMN1; SMN2 (0.42) KMT2AMAPTROCK2IMPDH2TP53
SCHEMBL8553623 0.72 ALDH1A1 (0.44) KMT2AMAPTROCK2IMPDH2TP53
SCHEMBL8557970 0.71 MAPT (0.40) KMT2AMAPTROCK2IMPDH2TP53
SCHEMBL8624225 0.71 ROCK2 (0.41) KMT2AMAPTROCK2IMPDH2EPHX2

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