SCHEMBL8073556

SCHEMBL8073556

O=c1[nH]c2cc(/C=C/c3ccc4ccccc4n3)ccc2c(=O)c2[nH]nnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
CYSLTR1 Q9Y271 6/20 0.42
CYSLTR2 Q9NS75 5/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
NR0B1 P51843 1/20 0.38
NQO2 P16083 1/20 0.38
POLB P06746 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
SCHEMBL8073563 1.00 GLA (0.42) GLARAB9ANPC1KDM4ELMNA
Trifluoroacetic Acid SCHEMBL8067343 0.92 CYSLTR1 (0.39) GLARAB9ANPC1KDM4ELMNA
SCHEMBL8069062 0.84 IP6K1 (0.46) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL8069058 0.84 IP6K1 (0.46) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL8058054 0.83 ALDH1A1 (0.41) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL8058059 0.83 ALDH1A1 (0.41) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL8073292 0.79 IP6K1 (0.41) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8073308 0.79 IP6K1 (0.41) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8066788 0.78 PADI4 (0.40) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL7825535 0.78 KIF11 (0.43)

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-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