SCHEMBL13810752

SCHEMBL13810752

c1cc(-c2ccc[nH]2)cc(-n2cccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.53
ERCC4 Q92889 1/20 0.53
TNIK Q9UKE5 2/20 0.46
KDM5B Q9UGL1 1/20 0.43
LMNA P02545 1/20 0.43
TBK1 Q9UHD2 2/20 0.41
NOTUM Q6P988 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
METAP2 P50579 2/20 0.39
IKBKE Q14164 1/20 0.39
MPO P05164 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
GRM5 P41594 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
NT5E P21589 1/20 0.36
KAT6A Q92794 1/20 0.36

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
SCHEMBL13810761 0.79 IDO1 (0.51) ERCC1ERCC4TNIKKDM5BLMNA
SCHEMBL20930858 0.79 ERCC1 (0.58) ERCC1ERCC4TNIKKDM5BLMNA
SCHEMBL514839 0.77 ERCC1 (0.57) ERCC1ERCC4TNIKKDM5BLMNA
SCHEMBL5934873 0.76 NOTUM (0.57) ERCC1ERCC4LMNANOTUMFFAR4
SCHEMBL15021544 0.76 ERCC1 (0.52) ERCC1ERCC4TNIKKDM5BLMNA
Benzene SCHEMBL28260772 0.74 ERCC1 (0.51) ERCC1ERCC4TNIKKDM5BLMNA
Hydrochloric Acid SCHEMBL6006151 0.74 NOTUM (0.55) ERCC1ERCC4LMNANOTUMFFAR4
SCHEMBL27373948 0.73 ERCC1 (0.53) ERCC1ERCC4TNIKKDM5BLMNA
SCHEMBL13734402 0.72 ERCC1 (0.52) ERCC1ERCC4LMNATBK1NOTUM
SCHEMBL15021326 0.72 ERCC1 (0.52) ERCC1ERCC4TNIKKDM5BLMNA

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-7553556-B2 Organometallic materials and electroluminescent devices EASTMAN KODAK COMPANY (US) 2009-06-30 US disclosed
US-7553556-B2 Organometallic materials and electroluminescent devices EASTMAN KODAK COMPANY (US) 2009-06-30 US disclosed