SCHEMBL9301147

SCHEMBL9301147

Cc1cc(C)cc(OCC(C)Nc2ncnc(C(C)C)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HTR7 P34969 1/20 0.31
IDH1 O75874 1/20 0.31

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
SCHEMBL8734802 0.82 HTR7 (0.33) SYKKMT2AALDH1A1HTTTSHR
SCHEMBL8984978 0.74 HTR7 (0.33) SYKKMT2AHTR7
SCHEMBL9292263 0.74 HTR7 (0.32) SYKKMT2AHTR7
SCHEMBL7030028 0.73 HTR7 (0.32) SYKKMT2AHTR7
SCHEMBL28928149 0.71 AURKA (0.45) SYK
SCHEMBL12356605 0.70 GAA (0.39) KMT2AALDH1A1HTTHTR7
SCHEMBL117903 0.69 HTR7 (0.33) SYKKMT2ATSHRMAPTHTR7
SCHEMBL22188696 0.69 HTR7 (0.33) SYKKMT2ATSHRMAPTHTR7
SCHEMBL9066890 0.69 HTR7 (0.32) SYKKMT2ATSHRHTR7
SCHEMBL29352185 0.69 HTR7 (0.33) SYKKMT2ATSHRMAPTHTR7

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-5344810-A Synergistic triazine derivative mixture IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-09-06 US claimed