SCHEMBL9825008

SCHEMBL9825008

O=C1CC(Br)C(=O)N1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
ADAM17 P78536 1/20 0.41
TSHR P16473 1/20 0.41
HSP90AA1 P07900 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 1/20 0.38
GFER P55789 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NLRP1 Q9C000 1/20 0.38

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
SCHEMBL11755589 0.83 ALDH1A1 (0.41) ALDH1A1HSD17B10GAAADAM17TSHR
SCHEMBL10568754 0.79 ALDH1A1 (0.54) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL10889600 0.78 ALDH1A1 (0.53) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL11405713 0.78 ALDH1A1 (0.53) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL7930127 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTGAA
Bromide SCHEMBL11272474 0.76 ALDH1A1 (0.51) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL11283819 0.76 ALDH1A1 (0.54) ALDH1A1MAPTGAASMN1; SMN2GFER
SCHEMBL11757226 0.74 TSHR (0.42) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL9825002 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL11751976 0.73 ALDH1A1 (0.76) ALDH1A1HSD17B10MEN1KMT2AMAPT

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