SCHEMBL30765359

SCHEMBL30765359

C[C@@H]1CN(C(=O)c2cccc(-c3ccnc4cc(-c5ccc(S(C)(=O)=O)nc5)oc34)c2)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
METAP2 P50579 1/20 0.33
HSD11B1 P28845 1/20 0.33
GLA P06280 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL30765169 0.91 CCNT1 (0.37) HSD17B10RAB9AHPGDCCNT1CDK9
SCHEMBL30765312 0.88 HPGD (0.41) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL27261503 0.87 CCNT1 (0.46) RAB9AHPGDCCNT1CDK9
SCHEMBL30765188 0.86 ALOX5AP (0.41) HSD17B10NPC1RAB9AHPGDALDH1A1
SCHEMBL30765346 0.85 PDE4B (0.36) ALOX5APFEN1CCNT1CDK9
SCHEMBL30765165 0.85 ALOX5AP (0.42) HSD17B10NPC1RAB9AHPGDALDH1A1
SCHEMBL27261618 0.85 ALOX5AP (0.42) HSD17B10NPC1RAB9AHPGDALDH1A1
SCHEMBL30765259 0.85 CCNT1 (0.37) HSD17B10SMN1; SMN2HPGDALDH1A1CCNT1
SCHEMBL30765161 0.83 HSD17B10 (0.42) HSD17B10NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30765217 0.83 MAP3K7 (0.34) CCNT1CDK9

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-2024033280-A1 FUROPYRIDIN AND FUROPYRIMIDIN, INHIBITORS OF PI4K, FOR USE IN THE TREATMENT OF PARASITE INFECTION AND MALARIA MERCK PATENT GMBH (DE) 2024-02-15 WO disclosed