SCHEMBL17058232

SCHEMBL17058232

CC1(COc2c(N3CCN(SCc4c(N)ccc5[nH]ncc45)CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ DCTPP1 Q9H773 4/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.31
▸ PPARG P37231 2/20 0.31
▸ BLM P54132 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NR2E3 Q9Y5X4 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ SLC2A1 P11166 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
SCHEMBL17058147 0.84 SMN1; SMN2 (0.39) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058560 0.82 SMN1; SMN2 (0.38) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058476 0.80 PPARG (0.37) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058472 0.80 NPSR1 (0.37) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11945758 0.79 POLB (0.41) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058230 0.76 SMN1; SMN2 (0.58) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058542 0.76 SMN1; SMN2 (0.33) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17057895 0.75 RAB9A (0.44) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058030 0.75 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058192 0.75 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBKMT2ANPC1

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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