SCHEMBL11133670

SCHEMBL11133670

COc1ccc(CO)cc1-c1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ DHFR P00374 1/20 0.45
▸ CTSA P10619 4/20 0.45
▸ FYN P06241 3/20 0.44
▸ HTR7 P34969 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK10 P53779 1/20 0.40

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
SCHEMBL11137306 0.88 GABRA1 (0.44) CBFBNPC1RAB9APOLBDHFR
SCHEMBL31500179 0.83 POLB (0.46) NPC1RAB9APOLBDHFRCTSA
SCHEMBL11136215 0.82 L3MBTL1 (0.48) NPC1RAB9APOLB
SCHEMBL11135632 0.81 PRKCA (0.46) RAB9A
SCHEMBL5688584 0.78 CTSA (0.50) DHFRCTSAFYNHTR7EGFR
SCHEMBL30957364 0.78 MAOB (0.46) NPC1RAB9APOLBCTSAFYN
SCHEMBL14951063 0.76 ACHE (0.50) NPC1RAB9AMAPT
SCHEMBL30957326 0.75 NPC1 (0.56) NPC1RAB9APOLBMAPT
SCHEMBL21981564 0.75 CYP19A1 (0.41) NPC1RAB9A
SCHEMBL29685386 0.75 SYK (0.50) FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4417050-A Fungicidal, herbicidal and plant growth-regulating pyrimidyl-containing ethers CHEVRON RESEARCH COMPANY (US) 1983-11-22 — — US disclosed
Send feedback