SCHEMBL6202017

SCHEMBL6202017

O=C(CN1CCCCC1)Nc1scc(-c2ccc(Cl)c(Cl)c2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 7/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ PRKCZ Q05513 2/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL6202062 0.86 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL1951853 0.77 ANO1 (0.51) ANO1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1907629 0.76 ABL1 (0.56) ANO1MEN1KMT2AMAPT
SCHEMBL1953737 0.74 ANO1 (0.58) ANO1MEN1KMT2AMAPTATM
SCHEMBL3629317 0.73 ANO1 (0.71) ANO1
SCHEMBL12271568 0.73 ANO1 (0.58) ANO1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8289730 0.73 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3626819 0.72 MEN1 (0.71) ANO1MEN1KMT2ANPC1RAB9A
SCHEMBL3628404 0.72 MEN1 (0.70) ANO1MEN1KMT2ANPC1RAB9A
SCHEMBL12271321 0.72 ANO1 (0.55) ANO1MEN1KMT2AMAPTPRKCZ

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-1509514-A1 ANTHELMINTIC AND INSECTICIDAL THIOPHENE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2005-03-02 — — EP claimed
WO-2003101979-A1 ANTHELMINTIC AND INSECTICIDAL THIOPHENE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2003-12-11 — — WO claimed
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