SCHEMBL6764795

SCHEMBL6764795

Nc1c(-c2cccnc2CO)nn2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGFR P00533 3/20 0.37
MAPK1 P28482 3/20 0.34
ADORA1 P30542 2/20 0.33
ADCY10 Q96PN6 1/20 0.33
RAF1 P04049 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
GSK3B P49841 1/20 0.33
MAPK14 Q16539 1/20 0.33
IDO1 P14902 5/20 0.32
JAK2 O60674 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRA5 P31644 1/20 0.31
AKT1 P31749 1/20 0.30
MIF P14174 1/20 0.30

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
SCHEMBL33794 0.78 EGFR (0.41) ALDH1A1EGFRMAPK1ADORA1ADCY10
Hydrochloric Acid SCHEMBL8800846 0.76 EGFR (0.41) ALDH1A1EGFRMAPK1ADORA1ADCY10
SCHEMBL9197400 0.70 AKT1 (0.49) ALDH1A1L3MBTL1EGFRMAPK1ADORA1
SCHEMBL9282684 0.67 MIF (0.45) ALDH1A1EGFRADORA1ADORA2AMAPK14
SCHEMBL20341884 0.67 EGFR (0.38) ALDH1A1EGFRMAPK1ADORA1ADCY10
SCHEMBL4408717 0.66 EGFR (0.40) ALDH1A1EGFRMAPK1ADORA1ADCY10
SCHEMBL1231181 0.66 EGFR (0.40) ALDH1A1EGFRMAPK1JAK2MIF
SCHEMBL5847660 0.65 EGFR (0.41) ALDH1A1L3MBTL1EGFRMAPK1ADORA1
SCHEMBL16425978 0.65 MIF (0.39) ALDH1A1EGFRADORA1ADORA2AMIF
SCHEMBL676668 0.65 ALDH1A1 (0.57) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730789-B1 RADIATION RESISTANCE, WEATHERPROOF, WASHFASTNESS, COLORFASTNESS; HAIR DYES L'OREAL S.A. (FR) 2004-05-04 US claimed
US-6730789-B1 RADIATION RESISTANCE, WEATHERPROOF, WASHFASTNESS, COLORFASTNESS; HAIR DYES L'OREAL S.A. (FR) 2004-05-04 US disclosed