SCHEMBL8334320

SCHEMBL8334320

O=Cc1ccccc1C=Cc1ccc2ccc(Cl)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ECE2 P0DPD6 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ SLC2A1 P11166 1/20 0.45

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
SCHEMBL2020024 0.83 MEN1 (0.45) MEN1KMT2ARAB9ANPC1NFKB1
SCHEMBL11400887 0.83 NPC1 (0.66) MEN1KMT2ARAB9ANPC1NFKB1
SCHEMBL29517086 0.82 MEN1 (0.48) MEN1KMT2ARAB9ANPC1NFKB1
SCHEMBL4961173 0.81 MEN1 (0.53) MEN1KMT2ARAB9ANPC1NFKB1
SCHEMBL7249222 0.80 PTGER1 (0.59) MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL7249226 0.80 PTGER1 (0.59) MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL3748357 0.79 CCR1 (0.48) MEN1KMT2ARAB9ANPC1NFKB1
SCHEMBL6969863 0.79 CYSLTR2 (0.48) MEN1KMT2ARAB9ANPC1NFKB1
SCHEMBL6969865 0.79 CYSLTR2 (0.48) MEN1KMT2ARAB9ANPC1NFKB1
SCHEMBL6750524 0.78 KDM4E (0.67) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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-5885987-A ANTIHISTAMINE AGENT FOR TREATING ASTHMA, ANTILEUKOTRIENE AGENT, ANTIALLERGENS KOWA CO., LTD. (JP) 1999-03-23 — — US disclosed
US-5756518-A EXHIBITS ANTILEUKOTRIENIC ACTION AND ANTIHISTAMINIC ACTION; IS USEFUL IN TREATMENT OF ASTHMA KOWA CO., LTD. (JP) 1998-05-26 — — US disclosed
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