SCHEMBL11372168

SCHEMBL11372168

O=C(CCn1ccnc1)N1c2ccccc2[S+]([O-])c2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ PKM P14618 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ TBXAS1 P24557 2/20 0.38
▸ EGLN3 Q9H6Z9 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ HMOX2 P30519 1/20 0.36

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
SCHEMBL11373650 0.90 EGLN3 (0.46) CYP19A1TBXAS1EGLN3
SCHEMBL11377610 0.88 ACHE (0.39) ALDH1A1CYP19A1TBXAS1EGLN3
SCHEMBL11372860 0.88 ACHE (0.39) KDM4EALDH1A1TBXAS1EGLN3LMNA
SCHEMBL11158189 0.88 MEN1 (0.40) KDM4EALDH1A1TBXAS1EGLN3LMNA
SCHEMBL11383874 0.88 EGLN3 (0.38) ALDH1A1TBXAS1EGLN3
SCHEMBL11375813 0.86 TBXAS1 (0.39) ALDH1A1CYP19A1TBXAS1EGLN3
SCHEMBL11376963 0.85 TBXAS1 (0.41) CYP19A1TBXAS1EGLN3LMNANOS1
SCHEMBL11381987 0.85 ACHE (0.42) KDM4EALDH1A1CYP19A1TBXAS1LMNA
SCHEMBL11372131 0.85 ALDH1A1 (0.48) KDM4EALDH1A1CYP19A1TBXAS1EGLN3
SCHEMBL11375080 0.84 TBXAS1 (0.48) TBXAS1

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
US-4289768-A HYPOTENSIVE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-09-15 — — US disclosed
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