SCHEMBL10595698

SCHEMBL10595698

COc1cccc2c1ccc1[nH]ncc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ IDO1 P14902 1/20 0.45
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ NOS1 P29475 3/20 0.43
▸ AXL P30530 2/20 0.43
▸ RET P07949 1/20 0.42
▸ KIF5B P33176 1/20 0.42
▸ RAF1 P04049 4/20 0.42
▸ BRAF P15056 4/20 0.42
▸ MAPK10 P53779 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ METAP2 P50579 2/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PNMT P11086 1/20 0.40

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
SCHEMBL3471094 0.86 BRD4 (0.60) BRD4KDM4EALDH1A1HPGDIDO1
SCHEMBL30425937 0.86 BRD4 (0.60) BRD4KDM4EALDH1A1HPGDIDO1
SCHEMBL12473426 0.78 CA1 (0.55) KDM4EALDH1A1HPGDIDO1PLAU
SCHEMBL10595701 0.75 ALDH1A1 (0.56) BRD4KDM4EALDH1A1HPGDNOS1
SCHEMBL24861080 0.75 ALDH1A1 (0.59) BRD4KDM4EALDH1A1HPGD
SCHEMBL10593107 0.74 NOS1 (0.47) KDM4EALDH1A1HPGDIDO1ROCK2
SCHEMBL10596677 0.74 TDP1 (0.48) KDM4EALDH1A1HPGDIDO1ROCK2
SCHEMBL10595712 0.74 NOS1 (0.72) IDO1ROCK2ROCK1NOS1AXL
SCHEMBL3537413 0.74 BRD4 (0.48) BRD4KDM4EALDH1A1HPGDIDO1
SCHEMBL23979717 0.73 BRD4 (0.44) BRD4KDM4EALDH1A1HPGDIDO1

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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