SCHEMBL8066729

SCHEMBL8066729

O=C(CCc1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1)N1CCc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SPR P35270 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
PKM P14618 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
SCHEMBL8068924 0.85 PARP1 (0.38) MAPK1ALDH1A1HSD17B10USP2LMNA
SCHEMBL8069019 0.82 PRMT5 (0.39) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL8073368 0.78 ALDH1A1 (0.43) MAPK1ALDH1A1KDM4EHSD17B10GAA
SCHEMBL7822908 0.78 KDM4E (0.38) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL7831864 0.75 KDM4E (0.40) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL7826505 0.73 PTGES (0.47) ALDH1A1HSD17B10HPGDCYP2C9
SCHEMBL8073330 0.72 HPGD (0.50) ALDH1A1KDM4EHSD17B10GAARAB9A
SCHEMBL8057842 0.72 KDM4E (0.35) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL7825628 0.71 PTGES (0.46) ALDH1A1KDM4ENPC1RAB9ACYP2C9
SCHEMBL8069100 0.70 NPY5R (0.35) ROCK2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed