SCHEMBL18456885

SCHEMBL18456885

O=C(Nc1nc2ccc(O)cc2s1)c1ccc(OCC(=O)N2CCOCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.63
▸ LRRK2 Q5S007 10/20 0.61
▸ ALDH1A1 P00352 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ THRB P10828 1/20 0.55
▸ NPC1 O15118 1/20 0.53
▸ HSD17B1 P14061 2/20 0.53
▸ TP53 P04637 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51

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
SCHEMBL18425966 0.90 SCD (0.78) SCDLRRK2ALDH1A1SMN1; SMN2MEN1
SCHEMBL18456883 0.88 LRRK2 (0.67) SCDLRRK2ALDH1A1SMN1; SMN2MEN1
SCHEMBL18456886 0.78 HSD17B1 (0.62) SCDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16554294 0.77 SCD (1.00) SCDLRRK2ALDH1A1SMN1; SMN2MEN1
SCHEMBL31024 0.76 HSD17B1 (0.82) SCDLRRK2ALDH1A1SMN1; SMN2MEN1
SCHEMBL21753691 0.76 LRRK2 (1.00) SCDLRRK2ALDH1A1SMN1; SMN2MEN1
SCHEMBL31055 0.76 SCD (0.84) SCDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21753712 0.74 LRRK2 (1.00) SCDLRRK2ALDH1A1SMN1; SMN2MEN1
SCHEMBL21753706 0.74 LRRK2 (1.00) SCDLRRK2ALDH1A1MEN1KMT2A
SCHEMBL16554035 0.73 HSD17B1 (0.76) SCDLRRK2ALDH1A1SMN1; SMN2MEN1

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-2017019772-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2017-02-02 — — WO disclosed
Send feedback