SCHEMBL9716284

SCHEMBL9716284

CCCCCc1ccc2cc(C(CC)OCC(C[S+]([O-])CCOCCO)Oc3ncccn3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
CASR P41180 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
SCHEMBL9716287 0.89 MEN1 (0.41) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9716357 0.89
SCHEMBL9716350 0.85 MEN1 (0.37) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9716261 0.77 MEN1 (0.40) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9716257 0.77 MEN1 (0.43) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9716296 0.76 MAPK1 (0.40) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9716354 0.72 MEN1 (0.42) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9716359 0.70 HTT (0.35) MEN1USP2KMT2A
Hydrochloric Acid SCHEMBL9716279 0.69 GGPS1 (0.35) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL9716340 0.69 MEN1 (0.40) MEN1USP2ALDH1A1LMNACYP3A4

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
US-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed