SCHEMBL10700191

SCHEMBL10700191

COc1cc(OC)c2[nH]c([S+]([O-])Cc3ccccc3N(C)C)nc2c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.32
P2RX7 Q99572 1/20 0.32
DHFR P00374 1/20 0.31
GAA P10253 1/20 0.31
PTK2 Q05397 2/20 0.31
ABCB1 P08183 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ATP4A P20648 1/20 0.30
ATP4B P51164 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30

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
SCHEMBL3692343 0.87 NQO2 (0.35) P2RX7ATP4AATP4B
SCHEMBL10700093 0.85 GAA (0.33) IGF1RP2RX7DHFRGAAKDM4E
SCHEMBL10701306 0.84 ATP4A (0.33) P2RX7ATP4AATP4B
SCHEMBL10701062 0.80 SMN1; SMN2 (0.40) P2RX7KDM4EALDH1A1HSD17B10TP53
SCHEMBL10701843 0.79 PRMT5 (0.33) P2RX7GAAKDM4EALDH1A1HSD17B10
SCHEMBL10701999 0.79 OGT (0.34) KDM4EHSD17B10TP53MAPTATP4A
SCHEMBL9695446 0.78 PRMT5 (0.41) P2RX7ALDH1A1HSD17B10TP53ATP4A
SCHEMBL9678434 0.78 PDE10A (0.39) P2RX7KDM4EALDH1A1ATP4AATP4B
SCHEMBL10699893 0.78 SMN1; SMN2 (0.45) ALDH1A1MAPT
SCHEMBL9576670 0.77 NQO2 (0.34) P2RX7ATP4AATP4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP claimed
EP-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP disclosed