SCHEMBL7779540

SCHEMBL7779540

c1cc2[nH]nnc2c2c1CC2

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.31
RIPK1 Q13546 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
AURKA O14965 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
PTK2B Q14289 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL10932268 0.82
SCHEMBL5582280 0.74 KDM4E (0.37) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3674268 0.64 CES1 (0.36) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL247972 0.63
SCHEMBL102596 0.63 CBFB (0.37) KDM4EMAPT
SCHEMBL378661 0.63 FGFR1 (0.30)
SCHEMBL5968352 0.63 GRM4 (0.32) MEN1LMNAMAPTRAB9AKMT2A
SCHEMBL29229942 0.62 KCNMA1 (0.33)
SCHEMBL30556736 0.61 METAP2 (0.38) MAPK10KDM4EMEN1AURKAALDH1A1
SCHEMBL10606997 0.61 CES1 (0.35) TSHR

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
EP-0826768-B1 Granular components for automatic dishwashing compositions, and method of making them HENKEL KGAA (DE) 2001-10-24 EP disclosed
US-6221820-B1 Granular component containing alkylaminotriazole for use in machine dishwashing detergents HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-04-24 US disclosed
EP-0928828-A1 Alkylaminotriazole-containing granular components for automatic dishwashing compositions and process for preparing them Henkel KGaA (DE) 1999-07-14 EP disclosed
EP-0826768-A1 Granular components containing benzotriazole for automatic dishwashing compositions, and method of making them Henkel Kommanditgesellschaft auf Aktien (DE) 1998-03-04 EP disclosed