SCHEMBL11019266

SCHEMBL11019266

CCCOC(=O)c1ccc2[nH]c(-c3ccc(C)c(S)c3OC)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ PKN1 Q16512 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ SIRT2 Q8IXJ6 6/20 0.41
▸ SIRT1 Q96EB6 5/20 0.41
▸ SIRT3 Q9NTG7 2/20 0.41
▸ POLB P06746 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 3/20 0.39
▸ ALOX12 P18054 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ XBP1 P17861 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
SCHEMBL11019903 0.88 AMY1A (0.47) AMY1AMAPTLMNAHSD17B10KDM4E
SCHEMBL11020728 0.84 AMY1A (0.48) AMY1AMEN1KMT2AMAPTPOLB
SCHEMBL11022045 0.83 AMY1A (0.47) AMY1A
SCHEMBL11018142 0.83 AMY1A (0.43) AMY1AMAPTTSHRTP53SMN1; SMN2
SCHEMBL11020368 0.82 AMY1A (0.46) AMY1AMAPTLMNAKDM4EALDH1A1
SCHEMBL11017268 0.82 CHEK2 (0.47) AMY1AMAPTTP53SMN1; SMN2
SCHEMBL11019649 0.80 RHEB (0.44) AMY1AMEN1KMT2AMAPTLMNA
SCHEMBL11019270 0.78 KDM4E (0.45) MEN1KMT2AMAPTLMNAALOX15
SCHEMBL11019017 0.77 HPSE (0.42) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL11017894 0.76 CHEK2 (0.43) AMY1AMEN1KMT2AMAPTPOLB

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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