SCHEMBL23001350

SCHEMBL23001350

CC(F)(F)c1cc(Br)c(=O)[nH]n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.32
▸ PARP1 P09874 2/20 0.31
▸ HPGD P15428 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
SCHEMBL16346445 0.85 NOTUM (0.36) NOTUMPARP1HPGD
SCHEMBL20743794 0.70 — —
SCHEMBL21233312 0.70 MAPT (0.45) NOTUMHPGD
SCHEMBL22649202 0.69 HCAR2 (0.41) HPGD
SCHEMBL31381907 0.69 ALDH1A1 (0.39) NOTUMPARP1HPGD
SCHEMBL22649221 0.67 MAPK1 (0.33) —
SCHEMBL163551 0.66 — —
SCHEMBL21940245 0.65 AURKA (0.34) PARP1
SCHEMBL18155200 0.65 THRA (0.37) PARP1
SCHEMBL23013618 0.65 IDO1 (0.55) NOTUM

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-3778598-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 — — EP disclosed
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