SCHEMBL10653573

SCHEMBL10653573

C#CCN1C(=O)COc2cc(F)c(-n3c(=O)n4n(c3=O)CCCC4)cc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.36
EGFR P00533 2/20 0.35
KMO O15229 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL10656864 0.93 CHRM1 (0.34) CHRM1EGFRKMOALDH1A1POLB
SCHEMBL9781598 0.93 CHRM1 (0.33) CHRM1EGFRKMOPOLB
SCHEMBL10374363 0.88 CHRM1 (0.36) CHRM1EGFRKMOALDH1A1POLB
SCHEMBL38805 0.84 CHRM1 (0.36) CHRM1POLB
SCHEMBL29577537 0.84 CHRM1 (0.36) CHRM1POLB
SCHEMBL16063458 0.82 EGFR (0.34) CHRM1EGFRKMOALDH1A1POLB
SCHEMBL6826971 0.81 CHRM1 (0.36) CHRM1POLB
SCHEMBL10655155 0.81 CHRM1 (0.36) CHRM1EGFRKMOALDH1A1POLB
SCHEMBL16063579 0.81 EGFR (0.35) CHRM1EGFRKMOALDH1A1MEN1
SCHEMBL15779803 0.81 CHRM1 (0.37) CHRM1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0176101-B1 TRIAZOLOPYRIDAZINES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-07-06 EP claimed
US-4619687-A Triazolopyridazines and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-10-28 US claimed
EP-0176101-A1 Triazolopyridazines, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-04-02 EP claimed
EP-0176101-B1 TRIAZOLOPYRIDAZINES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-07-06 EP disclosed
US-4619687-A Triazolopyridazines and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-10-28 US disclosed
EP-0176101-A1 Triazolopyridazines, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-04-02 EP disclosed