SCHEMBL10594556

SCHEMBL10594556

Clc1cccc2c1c(Cl)cc1cn[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 6/20 0.58
▸ TRPA1 O75762 1/20 0.43
▸ CHEK1 O14757 2/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ PLK3 Q9H4B4 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPK10 P53779 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GABRP O00591 1/20 0.36

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
SCHEMBL10594268 0.82 NOS1 (0.52) NOS1TRPA1HSD17B10TDP1MAPK1
SCHEMBL10594553 0.74 NOS1 (0.59) NOS1TRPA1CHEK1FLT3PLK3
SCHEMBL104360 0.74 NOS1 (1.00) NOS1TRPA1CHEK1FLT3PLK3
SCHEMBL11576985 0.70 NOS1 (0.48) NOS1TRPA1CHEK1KMT2ADYRK1A
SCHEMBL10595306 0.69 MAPT (0.61) NOS1MAPK10RIPK1KMT2APOLB
SCHEMBL14911424 0.68 NOS1 (0.56) NOS1TRPA1CHEK1FLT3POLB
SCHEMBL10594464 0.68 TRPA1 (0.46) NOS1TRPA1HSD17B10TDP1MAPK1
SCHEMBL18398744 0.68 KDM4E (0.47) NOS1CHEK1FLT3GAAKMT2A
SCHEMBL204492 0.66 NOS1 (0.53) NOS1TRPA1CHEK1GAAKMT2A
SCHEMBL276444 0.66 HSD17B10 (0.53) NOS1CHEK1FLT3KMT2AHSD17B10

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
US-4871653-A DEVELOPING IN PRESENCE OF MERCAPTO POLYAZAINDENE PROMOTERS AND NUCLEATING QUATERNARY OR HYDRAZIDE-TYPE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 1989-10-03 — — US disclosed
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