SCHEMBL7717838

SCHEMBL7717838

Cc1cc2nc(=O)ccn2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 9/20 0.40
RECQL P46063 2/20 0.40
RAD51 Q06609 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 4/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CXCR2 P25025 1/20 0.35
MAPT P10636 2/20 0.33
ALKBH3 Q96Q83 1/20 0.33
ALPL P05186 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
SCHEMBL2269722 0.68 KDM4E (0.48) KDM4ELMNAALDH1A1RECQLRAD51
SCHEMBL7719491 0.66 KDM4E (0.54) KDM4ELMNAALDH1A1RECQLRAD51
SCHEMBL7664247 0.65
SCHEMBL13425008 0.65 SMN1; SMN2 (0.50) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL30134441 0.65 ALDH1A1 (0.35) KDM4ELMNAALDH1A1RECQLTDP1
SCHEMBL1313153 0.56 PTGS1 (0.47) KDM4ELMNAALDH1A1NPC1RAB9A
SCHEMBL33733 0.56 KDM4E (0.40) KDM4ELMNAALDH1A1RECQLRAD51
SCHEMBL17260080 0.54 ALDH1A1 (0.66) KDM4ELMNAALDH1A1RECQLTDP1
SCHEMBL214167 0.53 KDM4E (0.46) KDM4ELMNAALDH1A1RECQLRAD51
SCHEMBL90035 0.53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 US claimed
EP-0888109-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-PYRIMIDINEOXO COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHODS OREAL (FR) 2000-08-30 EP claimed
US-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 US disclosed
US-6179882-B1 OXIDATION COLOR DYES L'OREAL (FR) 2001-01-30 US disclosed