SCHEMBL19899676

SCHEMBL19899676

Fc1ccc2cnc(CBr)c(-c3cncnc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.39
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ADRA1A P35348 1/20 0.30

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
SCHEMBL19899680 0.78 TDP1 (0.46) TDP1CTDSP1TAAR1CYP11B1CYP11B2
SCHEMBL18464716 0.72 CYP1A2 (0.43) TDP1CTDSP1TAAR1
SCHEMBL18464723 0.71 TDP1 (0.48) TDP1CTDSP1TAAR1
SCHEMBL18425832 0.68 DHODH (0.40) TDP1CTDSP1TAAR1
SCHEMBL18464720 0.68 CYP11B1 (0.37) TDP1CTDSP1CYP11B1CYP11B2
SCHEMBL18425757 0.67 ABL1 (0.35) TDP1CTDSP1TAAR1
SCHEMBL18425842 0.67 SCN9A (0.35) TDP1CTDSP1TAAR1
SCHEMBL19915591 0.62 CYP17A1 (0.32) CYP11B1CYP11B2
SCHEMBL22290226 0.62 CYP1A2 (0.43) TDP1
SCHEMBL19915556 0.61 ADK (0.33) —

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
WO-2018038667-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2018-03-01 — — WO disclosed
WO-2018038667-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2018-03-01 — — WO disclosed
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