SCHEMBL18286771

SCHEMBL18286771

CC1(C)C=C(C(=O)O)C=C(Br)C1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 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
SCHEMBL28087884 0.78 KDM4E (0.31) KDM4E
SCHEMBL27587029 0.68 — —
SCHEMBL10940131 0.68 — —
SCHEMBL16181677 0.65 KDM4E (0.30) KDM4E
SCHEMBL27677328 0.64 — —
SCHEMBL27291893 0.62 KDM4E (0.31) KDM4E
SCHEMBL27504677 0.62 — —
SCHEMBL31534653 0.61 KMT2A (0.32) —
SCHEMBL11363773 0.60 — —
SCHEMBL28066475 0.60 CCR2 (0.31) —

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-2654423-B1 FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-12-07 — — EP disclosed
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