SCHEMBL10873867

SCHEMBL10873867

Oc1ccccc1CSn1cnc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 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
SCHEMBL6529410 0.78 CYP11B1 (0.53) TDP1CYP11B1CYP11B2ALDH1A1HTT
SCHEMBL599672 0.74 POLB (0.45) TDP1CYP11B1CYP11B2ALDH1A1HTT
SCHEMBL8413080 0.74 TDP1 (0.48) TDP1CYP11B1CYP11B2ALDH1A1HTT
SCHEMBL9060998 0.74 TDP1 (0.48) TDP1CYP11B1CYP11B2HTTMEN1
SCHEMBL8618130 0.73 CYP11B1 (0.67) KCNMA1TDP1CYP11B1CYP11B2ALDH1A1
SCHEMBL8440816 0.72 CYP11B1 (0.36) TDP1CYP11B1CYP11B2HTTMEN1
SCHEMBL11451311 0.71 TDP1 (0.46) TDP1CYP11B1CYP11B2HTTKDM4E
SCHEMBL6530090 0.71 TDP1 (0.46) TDP1CYP11B1CYP11B2HTTKDM4E
SCHEMBL8792548 0.71 TDP1 (0.46) TDP1CYP11B1CYP11B2HTTMEN1
SCHEMBL20683088 0.71 TDP1 (0.48) TDP1CYP11B1CYP11B2ALDH1A1HTT

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-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 — — EP disclosed
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