SCHEMBL28494482

SCHEMBL28494482

CC1CNc2c(cccc2[SH](=O)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ F2 P00734 4/20 0.32
▸ TSHR P16473 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
SCHEMBL23752388 1.00 BRD4 (0.36) BRD4CREBBPF2TSHR
SCHEMBL21692939 0.75 HTR2C (0.41) BRD4CREBBP
SCHEMBL13075669 0.74 MAOA (0.40) BRD4CREBBP
SCHEMBL7797306 0.74 MEN1 (0.36) BRD4CREBBPF2TSHR
SCHEMBL8986760 0.72 BRD4 (0.34) BRD4CREBBPF2
SCHEMBL8986766 0.72 BRD4 (0.34) BRD4CREBBPF2
SCHEMBL8986759 0.72 BRD4 (0.34) BRD4CREBBPF2
SCHEMBL7419402 0.71 F2 (0.41) F2
SCHEMBL7423427 0.71 F2 (0.44) F2
SCHEMBL7419399 0.71 F2 (0.41) F2

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
CN-107759662-B Anticoagulant compound, preparation method and application thereof, and pharmaceutical composition containing anticoagulant compound 北京赛而生物药业有限公司 2020-10-30 — — CN disclosed
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