SCHEMBL11409809

SCHEMBL11409809

CC(C)(C)c1ccc2c(c1)sc1c(C(=O)O)cnc(=O)n12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ UCHL1 P09936 1/20 0.33
▸ CCR9 P51686 4/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32

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
SCHEMBL11359826 0.84 PARP10 (0.47) TDP1KDM4ENPC1RAB9AKMT2A
SCHEMBL11409814 0.83 CYP2C19 (0.33) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL11478388 0.83 PARP10 (0.39) TDP1CA12CA1CA9KDM4E
SCHEMBL11347014 0.81 SMN1; SMN2 (0.39) CA1KDM4ENPC1RAB9AKMT2A
SCHEMBL11351095 0.81 TP53 (0.48) TDP1KDM4ERAB9AKMT2ATP53
SCHEMBL11489038 0.81 PARP15 (0.41) NOTUMKDM4ENPC1RAB9AKMT2A
SCHEMBL11346661 0.79 PDE11A (0.53) TDP1KDM4ENPC1RAB9AKMT2A
SCHEMBL11350749 0.79 SMN1; SMN2 (0.33) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL11475697 0.79 ALDH1A1 (0.39) KDM4EKMT2AALOX5AP
SCHEMBL11356753 0.78 PDE1B (0.44) TDP1CA12CA1CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005154-B1 1-OXO-1H-PYRIMIDO (6,1-B) BENZOTHIAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-11-25 — — EP disclosed
US-4232024-A ANTIALLERGENS BOEHRINGER MANNHEIM GMBH (DE) 1980-11-04 — — US disclosed
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