SCHEMBL7490401

SCHEMBL7490401

CCN(CC)Cc1nc2sc3c(c2c(-c2ccc(OC)c(OC)c2)c1C(=O)O)CCN(Cc1ccccc1)C3

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.46
▸ ADORA1 P30542 2/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL7487295 0.93 LMNA (0.52) NT5EADORA1BRD4ABCB1MEN1
SCHEMBL7489710 0.91 KMT2A (0.42) NT5EMEN1KMT2AACHE
SCHEMBL7685427 0.90 MKNK1 (0.45) BRD4MEN1MAPTKMT2AACHE
SCHEMBL7491371 0.88 HTR1A (0.42) BRD4MEN1MAPTKMT2AKDM4E
SCHEMBL8317311 0.86 P2RX3 (0.47) MAPT
SCHEMBL7540582 0.85 ALDH1A1 (0.37) NT5EBRD4MAPTLMNAACHE
SCHEMBL7482329 0.83 CACNB4 (0.44) ADORA1ABCB1MEN1MAPTKMT2A
SCHEMBL7493512 0.83 PTPN1 (0.41) NT5EADORA1BRD4ABCB1MEN1
SCHEMBL7491349 0.82 ACHE (0.38) MAPTLMNAACHEKDM4EALDH1A1
SCHEMBL7490236 0.81 CACNB4 (0.37) ABCB1ACHEKDM4EALDH1A1GAA

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
EP-0791000-B1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-02 — — EP claimed
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