SCHEMBL9337050

SCHEMBL9337050

C=C(Br)C(=O)Nc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
PKM P14618 2/20 0.52
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 2/20 0.52
APEX1 P27695 1/20 0.52
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
SNCA P37840 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 3/20 0.42
GFER P55789 2/20 0.42
PTGS1 P23219 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL10690966 0.82 MAPT (0.59) MAPTRAB9AMEN1KMT2APKM
SCHEMBL31598547 0.82 MEN1 (0.55) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL31598552 0.82 ALDH1A1 (0.57) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL10718747 0.80 NPC1 (0.58) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL31598565 0.80 CA12 (0.43) CA12CA1CA2CA9GAA
SCHEMBL10718594 0.80 NPC1 (0.53) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL3298240 0.80 RXFP1 (0.62) MAPTRAB9AMEN1KMT2APKM
SCHEMBL31598537 0.80 ALDH1A1 (0.53) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL10717657 0.79 SMN1; SMN2 (0.54) MAPTRAB9AMEN1KMT2APKM
Hydrochloric Acid SCHEMBL6673965 0.78 RXFP1 (0.61) MAPTRAB9AMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352222-B1 Fibre-reactive formazane dyes, process for their preparation and their use CIBA GEIGY AG (CH) 1994-05-25 EP disclosed
US-5114430-A Colorfast dyes that react with fibers to form red, orange or red color CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
US-4994562-A Colorfast; for dyeing wool, silk CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0352222-A2 Fibre-reactive formazane dyes, process for their preparation and their use CIBA-GEIGY AG (CH) 1990-01-24 EP disclosed