SCHEMBL25338154

SCHEMBL25338154

C1CCC1.NC(=O)c1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 6/20 0.65
▸ MAPT P10636 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ESR1 P03372 2/20 0.52
▸ ESR2 Q92731 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ CA2 P00918 4/20 0.50
▸ PARP1 P09874 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ PMP22 Q01453 2/20 0.50
▸ PARP4 Q9UKK3 2/20 0.50
▸ PARP15 Q460N3 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PARP14 Q460N5 1/20 0.50
▸ PARP16 Q8N5Y8 1/20 0.50

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
SCHEMBL28823636 0.92 PARP10 (0.74) PARP10MAPTLMNAESR1ESR2
Hydroquinone SCHEMBL8674228 0.92 PARP10 (0.74) PARP10MAPTLMNAESR1ESR2
SCHEMBL162830 0.92 PARP10 (0.74) PARP10MAPTLMNAESR1ESR2
Hydrochloric Acid SCHEMBL3139339 0.90 PARP10 (0.71) PARP10MAPTLMNAESR1ESR2
Ammonia Solution, Strong SCHEMBL28805645 0.90 PARP10 (0.71) PARP10MAPTLMNAESR1ESR2
SCHEMBL28831945 0.90 PARP10 (0.71) PARP10MAPTLMNAESR1ESR2
Methane SCHEMBL28048015 0.90 PARP10 (0.71) PARP10MAPTLMNAESR1ESR2
Terephthalamide SCHEMBL12613686 0.89 PARP1 (0.60) PARP10MAPTCA2PARP1CA1
Terephthalamide SCHEMBL472214 0.89 PARP1 (0.60) PARP10MAPTCA2PARP1CA1
Terephthalamide SCHEMBL197479 0.89 PARP1 (0.60) PARP10MAPTCA2PARP1CA1

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
EP-4221703-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 — — EP disclosed
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