SCHEMBL9447058

SCHEMBL9447058

Cc1ccnc2c(Oc3ccc(N)cc3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 2/20 0.47
▸ COPS5 Q92905 2/20 0.47
▸ CCR1 P32246 2/20 0.44
▸ CCR5 P51681 2/20 0.44
▸ CCR8 P51685 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ TEAD4 Q15561 1/20 0.40
▸ DHFR P00374 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MITF O75030 1/20 0.39

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
SCHEMBL9446967 0.81 CCR1 (0.50) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL9446957 0.80 MEN1 (0.48) PSMD14COPS5MEN1KMT2AALDH1A1
SCHEMBL1337689 0.76 HTR1A (0.61) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL9447019 0.75 KDM4E (0.57) MEN1KMT2AAPAF1ALDH1A1SMN1; SMN2
SCHEMBL16620693 0.73 KDM4E (0.52) MEN1KMT2AAPAF1ALDH1A1L3MBTL1
SCHEMBL26073093 0.73 PSMD14 (0.54) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL29035107 0.73 PSMD14 (0.54) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL5239727 0.73 PSMD14 (0.59) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL30423646 0.73 PSMD14 (0.54) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL30644899 0.73 ALDH1A1 (0.56) MEN1KMT2AAPAF1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 — — US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 — — US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 — — US disclosed
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 — — EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 — — EP disclosed
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