SCHEMBL7547188

SCHEMBL7547188

C/C=C\c1cc(C#N)ccc1Br.[Li]CCCC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HRH4 Q9H3N8 2/20 0.34
▸ DRD2 P14416 3/20 0.33
▸ DRD3 P35462 3/20 0.33
▸ AR P10275 1/20 0.31
▸ TBXA2R P21731 1/20 0.30
▸ P4HB P07237 1/20 0.30
▸ CYP2A6 P11509 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
SCHEMBL7547194 1.00 TSHR (0.35) TSHRHSD17B10HRH4DRD2DRD3
SCHEMBL4774403 0.85 HRH4 (0.41) HRH4ARP4HBCYP2A6
SCHEMBL4774408 0.85 HRH4 (0.41) HRH4ARP4HBCYP2A6
SCHEMBL4769368 0.75 CYP2A6 (0.36) CYP2A6
SCHEMBL4769358 0.75 CYP2A6 (0.36) CYP2A6
SCHEMBL4767271 0.69 RAD51 (0.34) HRH4ARCYP2A6
SCHEMBL4767275 0.69 RAD51 (0.34) HRH4ARCYP2A6
SCHEMBL4767252 0.67 TSHR (0.42) TSHRHSD17B10HRH4DRD2DRD3
SCHEMBL20867221 0.66 HRH4 (0.41) HRH4P4HBCYP2A6
SCHEMBL15721486 0.66 TSHR (0.49) TSHRHSD17B10DRD2DRD3CYP2A6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 — — EP disclosed
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 — — EP disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 — — WO disclosed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 — — EP disclosed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 — — WO disclosed
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