SCHEMBL8574663

SCHEMBL8574663

COC(=O)c1cc(S(=O)(=O)N(C)C)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.44
▸ ALDH1A1 P00352 7/20 0.41
▸ LMNA P02545 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SLC10A6 Q3KNW5 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ PDE2A O00408 1/20 0.39

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
SCHEMBL8576504 0.86 CA2 (0.47) VCAM1ALDH1A1GAASIRT6PDGFRB
SCHEMBL8578530 0.85 MCL1 (0.45) VCAM1ALDH1A1LMNAGAAHPGD
SCHEMBL29451569 0.84 ALDH1A1 (0.48) VCAM1ALDH1A1LMNAGAAHPGD
SCHEMBL8572895 0.79 LMNA (0.45) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL8575419 0.78 MAPT (0.47) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL25487018 0.77 PDGFRB (0.51) VCAM1ALDH1A1LMNAHPGDSIRT6
SCHEMBL2609104 0.77 TDP1 (0.45) VCAM1LMNAGAASIRT6MEN1
SCHEMBL2897667 0.77 PDGFRB (0.50) VCAM1ALDH1A1LMNAHPGDSIRT6
SCHEMBL8572740 0.77 GSTO1 (0.42) ALDH1A1LMNAHPGDKMT2AKDM4E
SCHEMBL15972175 0.76 POLB (0.51) LMNASIRT6MEN1KMT2ANPC1

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-5849796-A Ortho-substituted benzoil acid derivatives MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-12-15 — — US disclosed
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