SCHEMBL11020861

SCHEMBL11020861

CCCc1ccc(-c2nc3cc(C(=O)OC)ccc3[nH]2)c(OCC)c1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RHEB Q15382 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37

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
SCHEMBL11019171 0.90 TDP1 (0.42) L3MBTL1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL11019649 0.86 RHEB (0.44) ATML3MBTL1MEN1KMT2ARHEB
SCHEMBL11016884 0.83 CHEK2 (0.41) MMP2MMP13CHEK2
SCHEMBL11017084 0.80 ALDH1A1 (0.41) KDM4EALDH1A1LMNAHPGDCHEK2
SCHEMBL11019903 0.78 AMY1A (0.47) ATML3MBTL1RHEBKDM4ESMN1; SMN2
SCHEMBL11017894 0.77 CHEK2 (0.43) L3MBTL1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL10416056 0.77 PDE5A (0.39) KDM4ESMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL11019017 0.77 HPSE (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1CHEK2
SCHEMBL11016456 0.76 CHEK2 (0.44) MMP2MMP13CHEK2
SCHEMBL1170648 0.74 KDM4E (0.61) ATML3MBTL1MEN1KMT2ARHEB

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-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
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