SCHEMBL8636330

SCHEMBL8636330

CCOc1ccc([N+](=O)[O-])cc1CN1N=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.41
BRD2 P25440 2/20 0.41
BRD3 Q15059 2/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AGPAT2 O15120 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
RAB9A P51151 1/20 0.35
KCNMA1 Q12791 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
CYP19A1 P11511 1/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL8316267 0.92 BRD4 (0.41) BRD4BRD2BRD3ALDH1A1MAPT
SCHEMBL8317477 0.84 BRD4 (0.46) BRD4BRD2BRD3ALDH1A1LMNA
SCHEMBL8319665 0.84 BRD4 (0.46) BRD4BRD2BRD3ALDH1A1LMNA
SCHEMBL8324403 0.83 BRD4 (0.44) BRD4BRD2BRD3ALDH1A1MAPT
SCHEMBL8316425 0.83 BRD4 (0.46) BRD4BRD2BRD3ALDH1A1LMNA
SCHEMBL8317053 0.82 BRD4 (0.45) BRD4BRD2BRD3
SCHEMBL8317879 0.79 BRD4 (0.41) BRD4BRD2BRD3ALDH1A1LMNA
SCHEMBL8801054 0.79 BRD4 (0.46) BRD4BRD2BRD3ALDH1A1LMNA
SCHEMBL8318916 0.79 BRD4 (0.45) BRD4BRD2BRD3LMNA
SCHEMBL8317679 0.78 BRD4 (0.47) BRD4BRD2BRD3ALDH1A1MAPT

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-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US claimed