SCHEMBL6782660

SCHEMBL6782660

CC(C)c1cc(N)c([N+](=O)[O-])c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSF1 Q00613 1/20 0.53
▸ MKNK1 Q9BUB5 1/20 0.46
▸ SYK P43405 2/20 0.44
▸ EGFR P00533 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ ROCK2 O75116 9/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ MAPKAPK2 P49137 1/20 0.42
▸ ERBB2 P04626 1/20 0.41
▸ RET P07949 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 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
SCHEMBL6788964 0.92 SYK (0.44) HSF1SYKMAPTNOS1RET
SCHEMBL6783321 0.86 HSF1 (0.56) HSF1MKNK1EGFRMAPTPOLB
SCHEMBL6909983 0.85 HSF1 (0.51) HSF1MKNK1SYKEGFRMAPT
SCHEMBL27595965 0.80 HSF1 (0.50) HSF1MKNK1SYKEGFRMAPT
SCHEMBL18196438 0.80 MKNK1 (0.53) HSF1MKNK1SYKEGFRMAPT
SCHEMBL6782806 0.78 MAPT (0.46) HSF1SYKMAPTNOS1RET
SCHEMBL9985978 0.77 HSF1 (0.47) HSF1MKNK1ROCK2ROCK1
SCHEMBL27595864 0.77 PIK3CA (0.47) HSF1MAPTROCK2ROCK1MAPK1
SCHEMBL6787283 0.73 HSF1 (0.72) HSF1MKNK1SYKEGFRMAPT
SCHEMBL27595866 0.72 HSF1 (0.50) HSF1MKNK1SYKEGFRMAPT

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-6743795-B1 INHIBITORS FOR HEPATITIS B AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) BECAUSE THEY INTERFERE WITH REMOVAL OF RNA STRAND FROM RNA-DNA HYBRID FORMED DURING THE REVERSE TRANSCRIPTION OF VIRAL RNA TO DNA DONG WHA PHARM. IND. CO. LTD. (KR) 2004-06-01 — — US disclosed
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