SCHEMBL5791745

SCHEMBL5791745

CCCCN(C)c1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ DTYMK P23919 1/20 0.50
▸ HCAR3 P49019 6/20 0.48
▸ MMP14 P50281 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KDR P35968 1/20 0.42
▸ VCAM1 P19320 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL297769 0.80 MAPT (0.60) MAPTDTYMKHCAR3ALDH1A1KDM4E
SCHEMBL31338514 0.80 MAPT (0.60) MAPTDTYMKHCAR3ALDH1A1KDM4E
SCHEMBL6081366 0.79 HCAR3 (0.54) MAPTDTYMKHCAR3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL591231 0.78 MMP14 (0.42) MAPTDTYMKHCAR3MMP14ALDH1A1
SCHEMBL5792361 0.78 MAPT (0.47) MAPTALDH1A1GAAKDM4EPOLB
SCHEMBL27785428 0.76 HCAR3 (0.44) MAPTDTYMKHCAR3MMP14ALDH1A1
SCHEMBL7497984 0.75 DTYMK (0.51) MAPTDTYMKHCAR3ALDH1A1AKR1C3
SCHEMBL11158183 0.75 KAT8 (0.55) MAPTDTYMKHCAR3ALDH1A1GAA
Hydrochloric Acid SCHEMBL590351 0.75 HCAR3 (0.43) MAPTDTYMKHCAR3MMP14ALDH1A1
SCHEMBL8381314 0.74 MAPT (0.56) MAPTDTYMKALDH1A1AKR1C3AKR1C2

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
WO-2006012577-A2 QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE BAYER PHARMACEUTICALS CORPORATION (US) 2006-02-02 — — WO disclosed
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