SCHEMBL30440950

SCHEMBL30440950

O=c1[nH]c(-c2ccncc2)nc2cscc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.65
MAPT P10636 2/20 0.65
ALDH1A1 P00352 2/20 0.65
ALOX15 P16050 1/20 0.65
HSD17B10 Q99714 1/20 0.65
APOBEC3G Q9HC16 1/20 0.65
KDM4C Q9H3R0 3/20 0.54
TNKS O95271 8/20 0.50
TNKS2 Q9H2K2 8/20 0.50
PARP1 P09874 4/20 0.50
TMIGD3 P0DMS9 1/20 0.50
ADORA1 P30542 1/20 0.50
GRIA1 P42261 2/20 0.48
GRIA2 P42262 2/20 0.48
GRIA3 P42263 2/20 0.48
GRIA4 P48058 2/20 0.48
KDM4E B2RXH2 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
WNT3A P56704 1/20 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
SCHEMBL15775394 0.87 TNKS (0.68) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL15645718 0.79 KDM4C (0.82) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL3460177 0.79 HPGD (1.00) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL29831923 0.79 HPGD (1.00) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL20299026 0.79 HPGD (0.71) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL20771302 0.72 HPGD (0.57) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL15646392 0.72 HPGD (0.57) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL14344516 0.71 KDM4C (0.80) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL25273461 0.71 HPGD (0.52) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL18637958 0.70 QTRT1 (0.34) HPGDMAPTALDH1A1ALOX15HSD17B10

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-2023098699-A1 COMPOUNDS AND THEIR USES AS CD38 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-06-08 WO disclosed