SCHEMBL17058472

SCHEMBL17058472

CC1(COc2c(N3CCN(SCc4ccc(N)c(CN)c4)CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.37
▸ PPARG P37231 2/20 0.37
▸ NR2E3 Q9Y5X4 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ LMNA P02545 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 7/20 0.34
▸ DCTPP1 Q9H773 4/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL17058476 0.90 PPARG (0.37) NPSR1PPARGNR2E3NCOR2SMN1; SMN2
SCHEMBL17058147 0.89 SMN1; SMN2 (0.39) NPSR1PPARGSMN1; SMN2LMNAPOLB
SCHEMBL17058560 0.87 SMN1; SMN2 (0.38) NPSR1PPARGNR2E3NCOR2SMN1; SMN2
SCHEMBL17058227 0.85 SMN1; SMN2 (0.35) NPSR1PPARGNR2E3NCOR2SMN1; SMN2
SCHEMBL17058272 0.84 NPSR1 (0.36) NPSR1PPARGNR2E3NCOR2SMN1; SMN2
SCHEMBL17058542 0.82 SMN1; SMN2 (0.33) NPSR1PPARGNR2E3NCOR2SMN1; SMN2
SCHEMBL17058025 0.81 SLC2A1 (0.31) MCHR1
SCHEMBL17058190 0.81 LIN28A (0.36) NPSR1PPARGNR2E3NCOR2SMN1; SMN2
SCHEMBL17058536 0.81 ALDH1A1 (0.43) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058207 0.81 NPSR1 (0.38) NPSR1PPARGNR2E3NCOR2SMN1; SMN2

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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