SCHEMBL11133234

SCHEMBL11133234

CCC(C)Cc1ccc(/N=N/c2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.43
▸ MAPK8 P45983 2/20 0.36
▸ MAPK9 P45984 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ LMNA P02545 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 5/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATG4B Q9Y4P1 5/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL11133238 1.00 KDR (0.43) KDRMAPK8MAPK9ALDH1A1LMNA
SCHEMBL10604384 1.00 KDR (0.43) KDRMAPK8MAPK9ALDH1A1LMNA
SCHEMBL10604380 1.00 KDR (0.43) KDRMAPK8MAPK9ALDH1A1LMNA
SCHEMBL10604386 1.00 KDR (0.43) KDRMAPK8MAPK9ALDH1A1LMNA
SCHEMBL11616761 0.77 KDR (0.53) KDRMAPK8MAPK9ALDH1A1LMNA
SCHEMBL5582364 0.76 ALDH1A1 (0.50) KDRMAPK8MAPK9ALDH1A1LMNA
SCHEMBL5582365 0.76 ALDH1A1 (0.50) KDRMAPK8MAPK9ALDH1A1LMNA
SCHEMBL9869006 0.76 ALDH1A1 (0.42) KDRALDH1A1LMNAMEN1KMT2A
SCHEMBL15827073 0.74 KDR (0.54) KDRMAPK8MAPK9ALDH1A1LMNA
SCHEMBL11799571 0.73 CHRNA7 (0.36) —

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-4394070-A Helichromic compounds and displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-07-19 — — US disclosed
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