SCHEMBL11019017

SCHEMBL11019017

CCOc1c(-c2nc3cc(C(=O)NC)ccc3[nH]2)ccc(C)c1S

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 4/20 0.42
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ CHEK2 O96017 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MAPK10 P53779 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
SCHEMBL11017268 0.90 CHEK2 (0.47) HPSEMAPTCHEK2SMN1; SMN2TP53
SCHEMBL11018142 0.83 AMY1A (0.43) HPSEMAPTSMN1; SMN2TP53MAPK10
SCHEMBL11019903 0.79 AMY1A (0.47) MAPTALDH1A1SMN1; SMN2HTTTP53
SCHEMBL11020728 0.78 AMY1A (0.48) MAPTMEN1KMT2AALDH1A1CHEK2
SCHEMBL11021667 0.78 AMY1A (0.38) MAPTMEN1KMT2AALDH1A1CHEK2
SCHEMBL11022045 0.77 AMY1A (0.47) CHEK2
SCHEMBL11020861 0.77 ATM (0.41) MAPTMEN1KMT2AALDH1A1CHEK2
SCHEMBL11019171 0.77 TDP1 (0.42) MAPTMEN1KMT2AALDH1A1CHEK2
SCHEMBL11019019 0.77 HPSE (0.42) HPSEMAPTMEN1KMT2AALDH1A1
SCHEMBL11019266 0.77 AMY1A (0.43) MAPTMEN1KMT2AALDH1A1NPSR1

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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