SCHEMBL11100867

SCHEMBL11100867

Cc1ccc(Oc2ccc(F)cc2C#N)cc1S

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.53
▸ SLC22A12 Q96S37 4/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL12216024 0.83 AR (0.50) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL5949965 0.81 AR (0.56) ARSLC22A12
SCHEMBL378963 0.81 AR (0.50) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL17407526 0.80 AR (0.50) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL378894 0.78 SLC22A12 (0.46) ARSLC22A12
SCHEMBL2446602 0.76 MAPT (0.50) ARSLC22A12
SCHEMBL5837296 0.75 SLC22A12 (0.57) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL4181443 0.75 AR (0.72) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL11752736 0.75 AR (0.57) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL4103326 0.74 HTR2A (0.53) ARSLC22A12HTR2ASLC6A4

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-4443248-A Phenoxyphenoxypropionic acids and derivatives, and their use as herbicides VELSICOL CHEMICAL CORPORATION (US) 1984-04-17 — — US disclosed
Send feedback