SCHEMBL8986759

SCHEMBL8986759

C[C@@H]1CNc2c(cccc2SSc2cccc3c2NC[C@@H](C)C3)C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ F2 P00734 3/20 0.31

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
SCHEMBL8986766 1.00 BRD4 (0.34) BRD4CREBBPF2
SCHEMBL8986760 1.00 BRD4 (0.34) BRD4CREBBPF2
SCHEMBL21692939 0.78 HTR2C (0.41) BRD4CREBBP
SCHEMBL7797306 0.76 MEN1 (0.36) BRD4CREBBPF2
SCHEMBL13075669 0.76 MAOA (0.40) BRD4CREBBP
SCHEMBL28494482 0.72 BRD4 (0.36) BRD4CREBBPF2
SCHEMBL7419402 0.70 F2 (0.41) F2
SCHEMBL7419399 0.70 F2 (0.41) F2
SCHEMBL30788469 0.70 F2 (0.44) F2
SCHEMBL7423427 0.70 F2 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552410-A 1,2,3,4,-tetrahydroquinoline-8-sulphonic acid chlorides and acids, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1996-09-03 — — US disclosed
US-5476942-A 1-[2-amino-5-[1-(triphenylmethyl)-1H-imidazol-4-YL]-1-oxopentyl] piperidine derivatives, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1995-12-19 — — US disclosed
EP-0643047-A1 1(2-amino-5-(1-(triphenylmethyl)-1H-imidazol-4-yl)-1-oxopentyl)piperidine derivatives, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1995-03-15 — — EP disclosed
EP-0643046-A1 1,2,3,4-Tetrahydrochinolin-8-sulfonic acid and its chlorides as intermediates SYNTHELABO (FR) 1995-03-15 — — EP disclosed
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