SCHEMBL30300673

SCHEMBL30300673

COc1cccc(NC(=O)c2sccc2C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.65
NPC1 O15118 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
RXFP1 Q9HBX9 1/20 0.61
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 3/20 0.59
TP53 P04637 2/20 0.59
PKM P14618 2/20 0.59
NLRP3 Q96P20 1/20 0.59
POLB P06746 1/20 0.58
KDM1A O60341 1/20 0.58
RCOR1 Q9UKL0 1/20 0.58
NAMPT P43490 1/20 0.58
CISD2 Q8N5K1 1/20 0.57
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL1704320 0.85 RAB9A (0.61) RAB9ANPC1SMN1; SMN2RXFP1ALDH1A1
SCHEMBL1703768 0.85 RAB9A (0.64) RAB9ANPC1SMN1; SMN2RXFP1ALDH1A1
SCHEMBL1389175 0.81 PKM (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2530312 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2RXFP1ALDH1A1
SCHEMBL835070 0.78 NAMPT (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2533805 0.78 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2RXFP1ALDH1A1
SCHEMBL30300538 0.78 MAPK1 (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1703824 0.78 RAB9A (0.55) RAB9ANPC1SMN1; SMN2RXFP1ALDH1A1
SCHEMBL10055020 0.77 NPC1 (0.94) RAB9ANPC1SMN1; SMN2RXFP1ALDH1A1
SCHEMBL4436642 0.77 KCNK3 (0.77) RAB9ANPC1SMN1; SMN2RXFP1ALDH1A1

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-2023028117-A1 METHODS OF TREATING CDGSH IRON SULFUR DOMAIN 2 INSUFFICIENCY-ASSOCIATED DISORDERS YEH, TENG-KUANG (US) 2023-03-02 WO disclosed