SCHEMBL6628883

SCHEMBL6628883

NNc1ccc2c3c(cccc13)-c1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.59
KEAP1 Q14145 4/20 0.55
NFE2L2 Q16236 4/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
CYP1A2 P05177 4/20 0.49
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 2/20 0.44
HPGD P15428 2/20 0.44
HIF1A Q16665 1/20 0.44
HKDC1 Q2TB90 1/20 0.43
KMT2A Q03164 6/20 0.42
USP2 O75604 5/20 0.42
MEN1 O00255 5/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 3/20 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
SCHEMBL28682214 0.83 CYP1A2 (0.65) PABPC1KEAP1NFE2L2CRHBPCRHR2
SCHEMBL2134658 0.81 TYMS (0.56) PABPC1KEAP1NFE2L2CRHBPCRHR2
SCHEMBL3398583 0.80 MEN1 (0.62) PABPC1KEAP1NFE2L2CYP1A2ALDH1A1
SCHEMBL28143359 0.79 PABPC1 (0.59) PABPC1KEAP1NFE2L2CRHBPCRHR2
SCHEMBL16200909 0.79 MEN1 (0.64) PABPC1KEAP1NFE2L2CRHBPCRHR2
SCHEMBL8293068 0.78 KMT2A (0.54) PABPC1KEAP1NFE2L2CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL9081999 0.78 MEN1 (0.60) PABPC1KEAP1NFE2L2CYP1A2ALDH1A1
SCHEMBL17740736 0.76 MEN1 (0.61) PABPC1KEAP1NFE2L2CRHBPCRHR2
SCHEMBL9283258 0.75 PABPC1 (0.54) PABPC1KEAP1NFE2L2CRHBPCRHR2
SCHEMBL3404873 0.73 KMT2A (0.67) KEAP1NFE2L2ALDH1A1MAPK1L3MBTL1

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-0894799-B1 INDOLOMORPHINANE DERIVATIVES AND REMEDIES/PREVENTIVES FOR CEREBRAL DISORDERS TORAY INDUSTRIES (JP) 2004-04-07 EP disclosed
US-6156762-A Indolomorphinan derivative and agent for curing and preventing cerebral disorder TORAY INDUSTRIES, INC. (JP) 2000-12-05 US disclosed
EP-0894799-A1 INDOLOMORPHINANE DERIVATIVES AND REMEDIES/PREVENTIVES FOR CEREBRAL DISORDERS TORAY INDUSTRIES, INC. (JP) 1999-02-03 EP disclosed