SCHEMBL7443720

SCHEMBL7443720

Nc1nc(N2CCCCC2)c2ncnc(N3CCCCC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.48
▸ LMNA P02545 5/20 0.45
▸ TSHR P16473 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ PRNP P04156 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ NR2E3 Q9Y5X4 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ SLC29A1 Q99808 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44

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
SCHEMBL31419879 0.87 LMNA (0.53) NOS1LMNATSHRMAPTNPSR1
SCHEMBL11471053 0.83 HTT (0.58) LMNATSHRMAPTHTTNPSR1
SCHEMBL7942147 0.79 HTT (0.45) LMNATSHRMAPTHTTNPSR1
SCHEMBL9351961 0.79 HTT (0.44) LMNATSHRMAPTHTTNPSR1
SCHEMBL9565592 0.73 SLC29A1 (0.49) LMNATSHRMAPTHTTNPSR1
SCHEMBL17822445 0.73 LMNA (0.55) NOS1LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL17822430 0.73 LMNA (0.55) NOS1LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL9159049 0.73 HTT (0.61) LMNATSHRMAPTHTTNPSR1
SCHEMBL8830437 0.72 CHUK (0.50) NOS1LMNAHTTALOX15JAK3
SCHEMBL8826309 0.72 CHUK (0.50) NOS1LMNAHTTALOX15JAK3

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
WO-1998019672-A9 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES — 1998-09-11 — — WO disclosed
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