SCHEMBL19057964

SCHEMBL19057964

N#Cc1cc(F)ccc1Oc1ccc(NCCO)c(C=N)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.41
▸ PLA2G7 Q13093 1/20 0.37
▸ SLC22A12 Q96S37 16/20 0.37
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SLC22A8 Q8TCC7 1/20 0.36
▸ SLC22A11 Q9NSA0 1/20 0.36
▸ EPAS1 Q99814 1/20 0.35

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
SCHEMBL19057972 0.87 AR (0.42) ARPLA2G7SLC22A12
SCHEMBL14437176 0.84 PLA2G7 (0.41) ARPLA2G7SLC22A12
SCHEMBL14435933 0.82 PLA2G7 (0.53) ARPLA2G7SLC22A12
SCHEMBL16004751 0.82 HTR2A (0.37) —
SCHEMBL14436458 0.82 SLC6A4 (0.38) —
SCHEMBL14437173 0.79 AR (0.52) ARPLA2G7SLC22A12EPAS1
SCHEMBL19057971 0.77 AR (0.47) ARPLA2G7SLC22A12CYP2C8CYP2C9
SCHEMBL15994534 0.74 AR (0.39) ARPLA2G7SLC22A12CYP2C8CYP2C9
SCHEMBL15994535 0.74 AR (0.39) ARPLA2G7SLC22A12CYP2C8CYP2C9
SCHEMBL17407528 0.70 NTRK1 (0.40) —

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
EP-2961744-B1 INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF ARRAY BIOPHARMA INC (US) 2017-06-28 — — EP disclosed
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