SCHEMBL9136146

SCHEMBL9136146

Cc1ccc2nn(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c(Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.32
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL9135278 0.88 AGTR1 (0.34) AGTR1ALDH1A1LMNA
SCHEMBL8912878 0.78 LMNA (0.40) AGTR1ALDH1A1KDM4EMAPTNPC1
SCHEMBL9136773 0.77 ALDH1A1 (0.37) AGTR1ALDH1A1KDM4EMAPTNPC1
SCHEMBL9136007 0.76 AGTR1 (0.46) AGTR1
SCHEMBL9309617 0.74 MAPT (0.34) AGTR1ALDH1A1KDM4EMAPTNPC1
SCHEMBL9135115 0.74 AGTR1 (0.37) AGTR1
SCHEMBL2161550 0.73 ABCG2 (0.41) AGTR1ALDH1A1KDM4EMAPTNPC1
SCHEMBL8913418 0.72 ALDH1A1 (0.37) AGTR1ALDH1A1KDM4EMAPTNPC1
SCHEMBL9311085 0.72 FGFR1 (0.38) AGTR1ALDH1A1KDM4EMAPTNPC1
SCHEMBL9311096 0.72 AGTR1 (0.33) AGTR1

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-5387684-A For treatment and prophylaxis of angiotensin II-mediated diseases such as circulatory diseases of hypertension and heart failure THE GREEN CROSS CORPORATION (JP) 1995-02-07 US disclosed
EP-0602246-A1 ISOINDAZOLE COMPOUND THE GREEN CROSS CORPORATION (JP) 1994-06-22 EP disclosed