SCHEMBL6786813

SCHEMBL6786813

CCc1cc(NCCO)c([N+](=O)[O-])c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSF1 Q00613 1/20 0.48
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ MKNK1 Q9BUB5 3/20 0.40
▸ ROCK2 O75116 5/20 0.39
▸ ROCK1 Q13464 3/20 0.39
▸ EGFR P00533 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ BCL6 P41182 1/20 0.37

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
SCHEMBL6786131 0.83 HSF1 (0.55) HSF1JAK2JAK1MKNK1ROCK2
SCHEMBL27595866 0.75 HSF1 (0.50) HSF1MKNK1ROCK2ROCK1EGFR
SCHEMBL6783321 0.73 HSF1 (0.56) HSF1MKNK1ROCK2ROCK1EGFR
SCHEMBL6909983 0.72 HSF1 (0.51) HSF1MKNK1ROCK2ROCK1EGFR
SCHEMBL6786129 0.70 HSF1 (0.70) HSF1MKNK1ROCK2ROCK1EGFR
SCHEMBL27614606 0.70 HSF1 (0.55) HSF1MKNK1ROCK2ROCK1EGFR
SCHEMBL6782660 0.69 HSF1 (0.53) HSF1MKNK1ROCK2ROCK1EGFR
SCHEMBL27614696 0.69 HSF1 (0.53) HSF1MKNK1ROCK2ROCK1EGFR
SCHEMBL6786808 0.69 HSF1 (0.61) HSF1MKNK1ROCK2ROCK1EGFR
SCHEMBL6786120 0.68 HSF1 (0.63) HSF1MKNK1ROCK2ROCK1EGFR

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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