SCHEMBL9825002

SCHEMBL9825002

O=C1CC(Br)C(=O)N1c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
MAPT P10636 5/20 0.56
HSP90AA1 P07900 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 5/20 0.48
KDM4E B2RXH2 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.47
MGLL Q99685 1/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
XBP1 P17861 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
PAX8 Q06710 1/20 0.45

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
SCHEMBL11283819 0.81 ALDH1A1 (0.54) ALDH1A1MAPTGAAKDM4EPOLB
SCHEMBL7923850 0.81 FAAH (0.47) ALDH1A1MAPTHSP90AA1HTTKMT2A
SCHEMBL10571688 0.79 ALDH1A1 (0.54) ALDH1A1MAPTHSP90AA1HTTKMT2A
SCHEMBL8312797 0.79 ALDH1A1 (0.56) ALDH1A1MAPTHSP90AA1HTTKMT2A
SCHEMBL10333515 0.79 ALDH1A1 (0.56) ALDH1A1MAPTHSP90AA1HTTKMT2A
SCHEMBL20846699 0.78 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL10569492 0.77 ALDH1A1 (0.55) ALDH1A1MAPTHSP90AA1HTTKMT2A
SCHEMBL7930127 0.76 ALDH1A1 (0.50) ALDH1A1MAPTHSP90AA1HTTKMT2A
SCHEMBL10569939 0.76 ALDH1A1 (0.54) ALDH1A1MAPTHSP90AA1HTTKMT2A
SCHEMBL10570366 0.75 ALDH1A1 (0.52) ALDH1A1MAPTHSP90AA1HTTKMT2A

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-0288493-B1 3-HALOGEN SUCCINIMIDES DOWELANCO (US) 1991-05-29 EP disclosed
US-4977183-A 3-halosuccinimides and plant fungicidal use thereof THE DOW CHEMICAL COMPANY (US) 1990-12-11 US disclosed
US-4900840-A 3-halosuccinimides THE DOW CHEMICAL COMPANY (US) 1990-02-13 US disclosed
EP-0288493-A1 3-HALOGEN SUCCINIMIDES. DOW CHEMICAL CO (US) 1988-11-02 EP disclosed
WO-1988002747-A1 3-HALOGEN SUCCINIMIDES THE DOW CHEMICAL COMPANY (US) 1988-04-21 WO disclosed