SCHEMBL17058190

SCHEMBL17058190

CC1(COc2c(N3CCN(SCc4ccc([N+](=O)[O-])c(-c5ccccc5)c4)CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIN28A Q9H9Z2 1/20 0.36
▸ PPARG P37231 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NR2E3 Q9Y5X4 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 6/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HTT P42858 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ DCTPP1 Q9H773 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 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
SCHEMBL17058225 0.89 LIN28A (0.37) LIN28APPARGNPSR1NR2E3NCOR2
SCHEMBL17058476 0.82 PPARG (0.37) PPARGNPSR1NR2E3NCOR2SMN1; SMN2
SCHEMBL11945682 0.82 MAPT (0.42) LIN28APPARGNPSR1SMN1; SMN2POLB
SCHEMBL17058472 0.81 NPSR1 (0.37) PPARGNPSR1NR2E3NCOR2SMN1; SMN2
SCHEMBL17058560 0.81 SMN1; SMN2 (0.38) PPARGNPSR1NR2E3NCOR2SMN1; SMN2
SCHEMBL17058272 0.81 NPSR1 (0.36) PPARGNPSR1NR2E3NCOR2SMN1; SMN2
SCHEMBL17058536 0.78 ALDH1A1 (0.43) SMN1; SMN2POLBLMNAKMT2AMAPT
SCHEMBL17058147 0.78 SMN1; SMN2 (0.39) PPARGNPSR1SMN1; SMN2POLBLMNA
SCHEMBL17058181 0.77 ALDH1A1 (0.43) NPSR1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL17058569 0.76 LIN28A (0.34) LIN28ASMN1; SMN2POLBLMNAKMT2A

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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