SCHEMBL7707705

SCHEMBL7707705

CCCc1[nH]c2cc(C(=O)NCc3ccccc3C(=O)OC)ccc2c1C(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
ROCK2 O75116 4/20 0.40
PPARG P37231 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
IMPDH2 P12268 1/20 0.39
KIF11 P52732 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.37
PAX8 Q06710 1/20 0.37
PARP1 P09874 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL8624225 0.93 ROCK2 (0.41) SMN1; SMN2KMT2AATMMAPTPOLB
SCHEMBL8629096 0.88 MAPT (0.55) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL18073895 0.86 ROCK2 (0.56) SMN1; SMN2L3MBTL1MAPTPOLBROCK2
SCHEMBL7422800 0.83 KMT2A (0.58) SMN1; SMN2MEN1KMT2AATML3MBTL1
SCHEMBL8553623 0.83 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AMAPTPOLB
SCHEMBL8557970 0.82 MAPT (0.40) SMN1; SMN2MEN1KMT2AMAPTPOLB
SCHEMBL7710536 0.81 HDAC3 (0.46) SMN1; SMN2MEN1KMT2AMAPTROCK2
SCHEMBL8556645 0.80 PARP1 (0.52) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL8554262 0.78 ALDH1A1 (0.54) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL8555826 0.78 KMT2A (0.44) SMN1; SMN2MEN1KMT2AATML3MBTL1

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
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed