SCHEMBL7490926

SCHEMBL7490926

CCOC(=O)c1c(Cn2cncn2)nc2sc(C)c(C)c2c1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ POLB P06746 3/20 0.40
▸ PRKCZ Q05513 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ CACNB4 O00305 2/20 0.38
▸ CACNA1A O00555 2/20 0.38
▸ CACNA1G O43497 2/20 0.38
▸ CACNG3 O60359 2/20 0.38

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
SCHEMBL7494921 0.86 SLC10A2 (0.44) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL7490064 0.85 POLB (0.44) CYP2C9RECQLALDH1A1MAPTHPGD
SCHEMBL7488126 0.84 PRKCI (0.42) ALDH1A1MAPTHPGDLMNANPSR1
SCHEMBL7488242 0.83 MAPT (0.53) CYP2C9RECQLALDH1A1MAPTHPGD
SCHEMBL7488116 0.82 ALDH1A1 (0.33) CYP2C9ALDH1A1MAPTHPGDNPSR1
SCHEMBL7494813 0.82 MAPT (0.44) CYP2C9RECQLALDH1A1MAPTHPGD
SCHEMBL8806198 0.78 ALDH1A1 (0.44) CYP2C9RECQLALDH1A1MAPTHPGD
Diethylamine SCHEMBL7494820 0.76 CYP2C9 (0.52) CYP2C9RECQLALDH1A1MAPTHPGD
SCHEMBL7819351 0.75 FABP4 (0.54) ALDH1A1MAPTHPGDLMNANPSR1
SCHEMBL7683887 0.75 SLC10A2 (0.42) CYP2C9ALDH1A1MAPTHPGDNPSR1

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
EP-0791000-B1 THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-02 — — EP disclosed
US-5747486-A ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES (JP) 1998-05-05 — — US disclosed
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