SCHEMBL6432619

SCHEMBL6432619

COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 4/20 0.76
▸ FFAR4 Q5NUL3 2/20 0.61
▸ CYP2C9 P11712 2/20 0.57
▸ CCR9 P51686 4/20 0.56
▸ LMNA P02545 3/20 0.53
▸ SLC10A2 Q12908 1/20 0.53
▸ SLC10A1 Q14973 1/20 0.53
▸ SLC10A6 Q3KNW5 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ TCF4 P15884 1/20 0.51
▸ CTNNB1 P35222 1/20 0.51
▸ KDM1A O60341 1/20 0.51
▸ HTT P42858 1/20 0.50

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
SCHEMBL3981560 0.88 METAP2 (0.62) METAP2CYP2C9CCR9LMNASLC10A2
SCHEMBL19083016 0.86 METAP2 (1.00) METAP2CYP2C9CCR9LMNASLC10A2
SCHEMBL4649661 0.86 METAP2 (0.57) METAP2CCR9SLC10A2SLC10A1SLC10A6
SCHEMBL3511869 0.85 FFAR4 (0.62) METAP2FFAR4CYP2C9LMNACYP1A2
SCHEMBL23200363 0.84 FFAR4 (0.65) METAP2FFAR4CYP2C9LMNACYP1A2
SCHEMBL1291344 0.84 LMNA (0.68) METAP2FFAR4CYP2C9CCR9LMNA
SCHEMBL3512980 0.84 CYP2C9 (0.72) METAP2FFAR4CYP2C9LMNACYP1A2
SCHEMBL16628393 0.84 FFAR4 (0.61) METAP2FFAR4CYP2C9LMNACYP1A2
SCHEMBL31138223 0.84 FFAR4 (0.61) METAP2FFAR4CYP2C9LMNACYP1A2
SCHEMBL31138312 0.84 FFAR4 (0.65) METAP2FFAR4CYP2C9LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 — — US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 — — EP disclosed
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