SCHEMBL11020863

SCHEMBL11020863

CCCSc1ccc(-c2nc3cc(C(=O)OC)ccc3[nH]2)c(OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ RHEB Q15382 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ HPSE Q9Y251 4/20 0.40

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
SCHEMBL11020867 0.93 TP53 (0.51) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL11019173 0.90 POLB (0.47) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL11019650 0.84 CHEK2 (0.43) SMN1; SMN2LMNAHPGDTP53RHEB
SCHEMBL11019181 0.83 TP53 (0.55) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL11016885 0.83 CHEK2 (0.53) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL11017086 0.79 DHFR (0.42) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL10760161 0.79 RHEB (0.47) SMN1; SMN2LMNAHPGDRHEBNPC1
SCHEMBL11019019 0.79 HPSE (0.42) SMN1; SMN2HPGDMEN1KMT2ATP53
SCHEMBL11018034 0.79 RHEB (0.39) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL11019640 0.78 MAPT (0.47) SMN1; SMN2LMNAMEN1KMT2ATP53

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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