SCHEMBL9464684

SCHEMBL9464684

CN(c1ccc(CBr)cc1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GALR3 O60755 1/20 0.43
LMNA P02545 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
IKBKB O14920 1/20 0.37

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
SCHEMBL28040739 0.85 RAB9A (0.48) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL5120910 0.82 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL14668531 0.82 RAB9A (0.48) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL5479553 0.82 APLNR (0.39) SMN1; SMN2ALDH1A1KDM4ELMNATSHR
SCHEMBL7453984 0.80 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL10413567 0.80 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL31402193 0.80 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL955246 0.80 PSIP1 (0.47) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL12678495 0.78 RAB9A (0.56) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL7462737 0.78 RAB9A (0.49) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258399-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US disclosed
US-5236948-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed