SCHEMBL27857023

SCHEMBL27857023

CCCCc1nc2cccc(S)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.52
▸ POLB P06746 1/20 0.44
▸ PI4KA P42356 1/20 0.38
▸ PI4K2B Q8TCG2 1/20 0.38
▸ PI4K2A Q9BTU6 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GSK3B P49841 1/20 0.37

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
SCHEMBL27873817 0.94 PARP1 (0.47) PARP1POLBPI4KAPI4K2BPI4K2A
SCHEMBL27857096 0.83 DDAH1 (0.53) —
SCHEMBL6755253 0.83 PARP1 (0.54) PARP1POLBPI4KAPI4K2BPI4K2A
Bromide SCHEMBL28178865 0.82 DDAH1 (0.51) —
SCHEMBL3857633 0.78 PARP1 (0.49) PARP1POLBPI4KAPI4K2BPI4K2A
SCHEMBL6753970 0.78 PARP1 (0.49) PARP1POLBPI4KAPI4K2BPI4K2A
SCHEMBL6757219 0.77 PARP1 (0.48) PARP1POLBPI4KAPI4K2BPI4K2A
SCHEMBL6753976 0.77 PARP1 (0.48) PARP1POLBPI4KAPI4K2BPI4K2A
SCHEMBL6756154 0.77 PARP1 (0.48) PARP1POLBPI4KAPI4K2BPI4K2A
SCHEMBL6753951 0.77 PARP1 (0.48) PARP1POLBPI4KAPI4K2BPI4K2A

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
CN-102491344-B Silica nano-particle and preparation method and use thereof UNIV KUNMING SCIENCE & TECHNOLOGY 2014-04-02 — — CN claimed
CN-102491344-A Silica nano-particle and its preparation method and use UNIV KUNMING SCIENCE & TECHNOLOGY 2012-06-13 — — CN claimed
CN-107074015-B Rubber composition for tire, pneumatic tire, and non-pneumatic tire 住友橡胶工业株式会社 2019-12-06 — — CN disclosed
CN-102491344-B Silica nano-particle and preparation method and use thereof UNIV KUNMING SCIENCE & TECHNOLOGY 2014-04-02 — — CN disclosed
CN-102491344-A Silica nano-particle and its preparation method and use UNIV KUNMING SCIENCE & TECHNOLOGY 2012-06-13 — — CN disclosed
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