SCHEMBL9281985

SCHEMBL9281985

COc1c(C)cc(N)c(C[S+]([O-])c2nc3cc(Cl)ccc3[nH]2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.45
ATP4B P51164 4/20 0.45
AMY1A P0DUB6 1/20 0.33
IDH1 O75874 1/20 0.31
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31
TUBB3 Q13509 2/20 0.31
TUBB2A Q13885 2/20 0.31
TUBB8 Q3ZCM7 2/20 0.31
TUBA3E Q6PEY2 2/20 0.31
TUBA1A Q71U36 2/20 0.31
TUBA1C Q9BQE3 2/20 0.31
TUBB6 Q9BUF5 2/20 0.31
TUBB2B Q9BVA1 2/20 0.31
TUBB1 Q9H4B7 2/20 0.31
MAP3K14 Q99558 1/20 0.31

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
SCHEMBL9286820 0.89 ATP4A (0.51) ATP4AATP4BAMY1A
SCHEMBL6482632 0.89 ATP4A (0.51) ATP4AATP4BAMY1A
SCHEMBL6483109 0.87 ATP4A (0.59) ATP4AATP4B
SCHEMBL10616864 0.81 KMT2A (0.42) ATP4AATP4BAMY1AMAP3K14
SCHEMBL9284070 0.74 ATP4A (0.39) ATP4AATP4B
SCHEMBL6475152 0.74 ATP4A (0.56) ATP4AATP4B
SCHEMBL6475073 0.74 ATP4A (0.45) ATP4AATP4BNR4A2
SCHEMBL6481788 0.73 AMY1A (0.41) ATP4AATP4BAMY1ATUBB4ATUBB
Water SCHEMBL6483950 0.73 ATP4A (0.55) ATP4AATP4B
Water SCHEMBL6483945 0.73 ATP4A (0.55) ATP4AATP4B

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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed