SCHEMBL8736344

SCHEMBL8736344

C=C(C)C(=O)OC.O=C1C(Br)=C(c2ccccc2Br)C(=O)N1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ KIF11 P52732 1/20 0.32
▸ HSP90AA1 P07900 2/20 0.32
▸ HSP90AB1 P08238 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ POLB P06746 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ELANE P08246 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 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
SCHEMBL331537 0.81 ALDH1A1 (0.39) ALDH1A1POLBGAAKMT2AMAPT
SCHEMBL6046983 0.69 PIM1 (0.33) ALDH1A1
Naphthalene SCHEMBL4378459 0.66 ALDH1A1 (0.65) ALDH1A1HSP90AA1SLC6A3TSHRKMT2A
SCHEMBL27758324 0.65 ALDH1A1 (0.58) ALDH1A1TSHRMAPTELANE
Fluorene SCHEMBL608981 0.65 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EMAPTMAPK1
O-Xylene SCHEMBL27600002 0.65 ALDH1A1 (0.62) ALDH1A1GAATSHRKDM4EMAPT
Catechol SCHEMBL28249167 0.65 ALDH1A1 (0.62) ALDH1A1POLBGAATSHRKMT2A
Biphenyl SCHEMBL1395450 0.65 ALDH1A1 (0.62) ALDH1A1SLC6A3TSHRKDM4EMAPT
Benzene SCHEMBL28395547 0.63 ALDH1A1 (0.83) ALDH1A1POLBTSHRKMT2AKDM4E
Benzene SCHEMBL27313869 0.63 ALDH1A1 (0.83) ALDH1A1POLBTSHRKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639619-B1 A melt-processible blend ROHM & HAAS (US) 1998-11-11 — — EP disclosed
US-5405670-A Transparent blend with methyl methacrylate-tribromophenyl maleimide ROHM AND HAAS COMPANY (US) 1995-04-11 — — US disclosed
EP-0639619-A2 A melt-processible blend ROHM AND HAAS COMPANY (US) 1995-02-22 — — EP disclosed
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