SCHEMBL8439045

SCHEMBL8439045

CC1(C)Oc2cc3nonc3cc2C(NCc2ccc(F)cc2)C1O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 5/20 0.48
▸ IDO1 P14902 1/20 0.36
▸ ABCC9 O60706 2/20 0.35
▸ KCNE1 P15382 3/20 0.34
▸ KCNQ1 P51787 3/20 0.34
▸ KCNA5 P22460 3/20 0.33
▸ THRB P10828 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8443304 0.89 ABCB1 (0.61) ABCB1IDO1ABCC9KCNA5
SCHEMBL8439228 0.79 ABCB1 (0.38) ABCB1IDO1ABCC9
SCHEMBL2888730 0.78 NPC1 (0.42) ABCB1KCNE1KCNQ1KCNA5
SCHEMBL2888729 0.78 NPC1 (0.42) ABCB1KCNE1KCNQ1KCNA5
Hydrochloric Acid SCHEMBL2883774 0.78 NPC1 (0.41) ABCB1KCNE1KCNQ1KCNA5
Hydrochloric Acid SCHEMBL2883776 0.78 NPC1 (0.41) ABCB1KCNE1KCNQ1KCNA5
SCHEMBL10916183 0.77 ABCB1 (0.53) ABCB1KCNA5
SCHEMBL8443474 0.77 ABCC9 (0.40) ABCB1ABCC9
SCHEMBL8441901 0.76 ABCC9 (0.37) ABCB1IDO1ABCC9
SCHEMBL8438968 0.73 ABCB1 (0.37) ABCB1IDO1ABCC9KCNA5

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-5919806-A 8-AMINOPYRANO(2.3-F)BENZO-OXADIAZOLES, THIADIAZOLES AND TRIAZOLES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-06 — — US disclosed
EP-0693283-A1 HEART FAILURE REMEDY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-01-24 — — EP disclosed
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