SCHEMBL22717606

SCHEMBL22717606

Nc1nnc(OCc2ccc(-c3ncco3)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ SI P14410 3/20 0.45
▸ MGAM2 Q2M2H8 3/20 0.45
▸ LTA4H P09960 5/20 0.40
▸ RAB9A P51151 6/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KCNJ1 P48048 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34
▸ ADORA2A P29274 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
SCHEMBL22717882 0.74 ALDH1A1 (0.54) MGAMGAASIMGAM2KDM4E
SCHEMBL22717835 0.74 PTGS1 (0.50) MGAMGAASIMGAM2KDM4E
SCHEMBL22717376 0.74 NPC1 (0.46) MGAMGAASIMGAM2RAB9A
SCHEMBL22717405 0.74 ALDH1A1 (0.54) MGAMGAASIMGAM2KDM4E
SCHEMBL10821887 0.74 GAA (0.60) MGAMGAASIMGAM2LTA4H
SCHEMBL26599152 0.73 MGAM (0.43) MGAMGAASIMGAM2RAB9A
SCHEMBL26599304 0.73 CYP3A4 (0.52) MGAMGAASIMGAM2RAB9A
SCHEMBL12515633 0.72 LTA4H (0.50) LTA4HRAB9ANPC1KCNJ1KCNH2
SCHEMBL24500409 0.71 MGAM (0.40) MGAMGAASIMGAM2RAB9A
SCHEMBL27594199 0.70 LTA4H (0.50) LTA4HNPC1KDM4ESMN1; SMN2TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 — — EP disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 — — EP disclosed
CN-114127062-A Thiadiazolyl derivatives as inhibitors of DNA polymerase Theta 伊迪亚生物科学有限公司 2022-03-01 — — CN disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 — — WO disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 — — WO disclosed
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