SCHEMBL11532017

SCHEMBL11532017

Cc1nnc2sc3cc(Cl)ccc3n12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP2 Q9UGN5 6/20 0.53
PARP10 Q53GL7 5/20 0.53
PARP15 Q460N3 4/20 0.53
TNKS2 Q9H2K2 3/20 0.53
PARP14 Q460N5 2/20 0.53
TNKS O95271 1/20 0.53
PARP1 P09874 1/20 0.53
TIPARP Q7Z3E1 1/20 0.53
PARP16 Q8N5Y8 1/20 0.53
PARP12 Q9H0J9 1/20 0.53
PARP11 Q9NR21 1/20 0.53
PARP4 Q9UKK3 1/20 0.53
PARP3 Q9Y6F1 1/20 0.53
CYP1A1 P04798 1/20 0.46
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL11536264 0.83 PARP10 (0.73) PARP2PARP10PARP15TNKS2PARP14
SCHEMBL11744096 0.76 PARP2 (0.46) PARP2PARP10PARP15TNKS2PARP14
SCHEMBL11536976 0.76 CHEK1 (0.66) PARP2PARP10PARP15TNKS2PARP14
Hydrochloric Acid SCHEMBL11747896 0.75 CHEK1 (0.64) PARP2PARP10PARP15TNKS2PARP14
SCHEMBL11534080 0.73 PARP2 (0.55) PARP2PARP10PARP15TNKS2PARP14
Acetic Acid SCHEMBL11746162 0.70 CHEK1 (0.57) POLBNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL25323961 0.69 PARP10 (1.00) PARP2PARP10PARP15TNKS2PARP14
SCHEMBL16441930 0.69 RAB9A (0.48) PARP2PARP15TNKS2CYP1A1POLB
SCHEMBL11533095 0.69 PARP10 (0.57) PARP2PARP10PARP15TNKS2PARP14
SCHEMBL25325088 0.69 PARP2 (1.00) PARP2PARP10PARP15TNKS2PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3937713-A Process for the preparation of s-triazolo[3,4-b]benzothiazoles ELI LILLY AND COMPANY (US) 1976-02-10 US claimed
US-4134914-A 1-Acyl-4-substituted phenyl thiosemicarbazides ELI LILLY AND COMPANY (US) 1979-01-16 US disclosed
US-4082762-A 4-(2-HALOPHENYL)-1,2,4-TRIAZOLE-3-THIOL COMPOUNDS ELI LILLY AND COMPANY (US) 1978-04-04 US disclosed
US-3937713-A Process for the preparation of s-triazolo[3,4-b]benzothiazoles ELI LILLY AND COMPANY (US) 1976-02-10 US disclosed