SCHEMBL11567828

SCHEMBL11567828

O=C(O)Oc1ccc2ncc(Br)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
F2 P00734 1/20 0.42
GLA P06280 1/20 0.42
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
HPGDS O60760 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 4/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 2/20 0.33
RAB9A P51151 2/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9625857 0.88 ALDH1A1 (0.39) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL10583759 0.81 ALDH1A1 (0.42) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL11127544 0.81 ALDH1A1 (0.39) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL10692489 0.80 KMT2A (0.38) ALDH1A1HPGDF2GLAKMT2A
SCHEMBL7760476 0.79 KMT2A (0.47) ALDH1A1HPGDF2GLAKMT2A
SCHEMBL9640851 0.79 ALDH1A1 (0.43) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL4710387 0.76 MAPT (0.54) ALDH1A1HPGDF2GLAKMT2A
SCHEMBL11585255 0.76 TDP1 (0.54) ALDH1A1HPGDKMT2AMAPTNPC1
SCHEMBL5265016 0.75 KMT2A (0.56) ALDH1A1HPGDKMT2AMAPTNPC1
SCHEMBL11084120 0.75 ALDH1A1 (0.39) ALDH1A1HPGDF2GLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001629-A1 Water-soluble, fibre-reactive, green azo-phthalocyanine dyestuffs, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1979-05-02 EP disclosed