SCHEMBL30635503

SCHEMBL30635503

O=C(c1cnc(N2CCCCC2)nc1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.60
POLB P06746 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HSD17B10 Q99714 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALOX15 P16050 1/20 0.60
ADRA1A P35348 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.56
DGAT2 Q96PD7 1/20 0.52
VNN1 O95497 2/20 0.47
TSHR P16473 1/20 0.47
PHGDH O43175 1/20 0.46
GRM5 P41594 1/20 0.46
SYK P43405 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46

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
SCHEMBL30635500 0.81 HPGD (0.90) HPGDPOLBALDH1A1HSD17B10KDM4E
SCHEMBL22360327 0.80 ADRA1A (0.61) HPGDPOLBALDH1A1HSD17B10KDM4E
SCHEMBL17974448 0.78 SMN1; SMN2 (0.62) HPGDPOLBALDH1A1HSD17B10KDM4E
SCHEMBL28053591 0.77 POLB (0.77) HPGDPOLBALDH1A1HSD17B10KDM4E
SCHEMBL16067612 0.77 POLB (0.88) HPGDPOLBALDH1A1HSD17B10KDM4E
SCHEMBL14528664 0.76 HPGD (0.65) HPGDPOLBALDH1A1HSD17B10KDM4E
SCHEMBL14625957 0.76 PTPN11 (0.57) HPGDPOLBALDH1A1HSD17B10KDM4E
SCHEMBL16827278 0.76 ADRA1A (1.00) ADRA1ADGAT2
SCHEMBL605729 0.76 POLB (1.00) HPGDPOLBALDH1A1HSD17B10KDM4E
SCHEMBL29944351 0.75 HPGD (1.00) HPGDPOLBALDH1A1HSD17B10KDM4E

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-2023229380-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO disclosed