SCHEMBL17058517

SCHEMBL17058517

Cc1ccc(CN[S+]([O-])N2CCN(c3cnn(-c4ccccc4)c(=O)c3OC3CCC(O)C3)CC2)cc1N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ ALDH1A1 P00352 6/20 0.33
▸ DCTPP1 Q9H773 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 5/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MEN1 O00255 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
SCHEMBL17058011 0.92 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1DCTPP1LMNAKMT2A
SCHEMBL17058533 0.90 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1DCTPP1LMNAKMT2A
SCHEMBL17058459 0.82 DCTPP1 (0.36) SMN1; SMN2ALDH1A1DCTPP1LMNAKMT2A
SCHEMBL17058247 0.82 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1DCTPP1LMNAKMT2A
SCHEMBL17058531 0.80 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1DCTPP1LMNAKMT2A
SCHEMBL11945973 0.80 POLB (0.39) SMN1; SMN2ALDH1A1DCTPP1LMNAPOLB
SCHEMBL17058212 0.77 NPSR1 (0.37) SMN1; SMN2ALDH1A1DCTPP1LMNAKMT2A
SCHEMBL17058240 0.76 POLB (0.37) SMN1; SMN2ALDH1A1LMNAKMT2APOLB
SCHEMBL17058586 0.75 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1DCTPP1LMNAKMT2A
SCHEMBL17058235 0.75 DCTPP1 (0.36) SMN1; SMN2ALDH1A1DCTPP1LMNAKMT2A

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-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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