SCHEMBL9155337

SCHEMBL9155337

CCCN1C(=O)c2cc(N)c(Br)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
MAPT P10636 2/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5566497 0.90 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9156396 0.86 CYP1B1 (0.45) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL9400279 0.80 APP (0.42) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL28962110 0.77 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL22080458 0.77 HSD17B10 (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8005568 0.74 CASP1 (0.60) ALDH1A1MAPTRAB9ANPC1MEN1
SCHEMBL9810842 0.74 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL773944 0.72 BCHE (0.42) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL31540928 0.69 RAB9A (0.59) ALDH1A1MAPTRAB9ANPC1MEN1
SCHEMBL27578525 0.69 RAB9A (0.59) ALDH1A1MAPTRAB9ANPC1MEN1

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-0443984-B1 Phthalimidylazo dyestuffs CIBA GEIGY AG (CH) 1995-01-18 EP disclosed
US-5218095-A Disperse dye for dyeing synthetic hydrophobic textiles CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
EP-0443984-A1 Phthalimidylazo dyestuffs CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed