SCHEMBL8538634

SCHEMBL8538634

O=C(NCc1[c]cccc1)c1cccc(Nc2ncccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.42
SRC P12931 2/20 0.42
EGFR P00533 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AURKA O14965 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
BCR P11274 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RHOA P61586 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
DNMT1 P26358 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL5607767 0.77 GAA (0.53) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL5607683 0.76 THRB (0.57) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL7497385 0.71 SENP1 (0.53) SIRT2RHOAROCK1
SCHEMBL7497378 0.71 SENP1 (0.53) SIRT2RHOAROCK1
SCHEMBL15490435 0.67 ABL1 (0.65) ABL1SRCSMN1; SMN2ALDH1A1MAPT
SCHEMBL19426791 0.67 KDR (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL31610174 0.67 HPGD (0.58) ABL1SRCSMN1; SMN2ALDH1A1MAPT
SCHEMBL8352521 0.66 ABL1 (0.58) ABL1SRCEGFRBCRROCK1
SCHEMBL29836794 0.65 BCHE (0.48) ALDH1A1MAPTLMNANPC1ROCK1
SCHEMBL19476377 0.65 NPC1 (0.59) ABL1SRCEGFRAURKANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed