SCHEMBL20613611

SCHEMBL20613611

CCSc1cc(N)cnc1C(=O)CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
AOC3 Q16853 1/20 0.33
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL17824481 0.82 L3MBTL1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23629353 0.81 MAPT (0.38) AOC3
SCHEMBL20613624 0.81 MAPT (0.30) AOC3
SCHEMBL17986657 0.81 CYP1A2 (0.41)
SCHEMBL23963291 0.80 EGLN1 (0.34)
SCHEMBL20613015 0.79 ALDH1A1 (0.34)
SCHEMBL16834272 0.78 NPSR1 (0.42)
SCHEMBL19297184 0.74 MET (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19297158 0.72
SCHEMBL18908837 0.71 L3MBTL1 (0.44)

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
EP-3372595-B1 OXIME GROUP-CONTAINING CONDENSED HETEROCYCLIC COMPOUND OR SALTS THEREOF AND AGRICULTURAL AND HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO LTD (JP) 2023-06-28 EP disclosed
EP-3421475-B1 CONDENSED HETEROCYCLIC COMPOUND HAVING BONDED HETEROCYCLES AND SALTS THEREOF, AGRICULTURAL/HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAID INSECTICIDE NIHON NOHYAKU CO LTD (JP) 2021-12-29 EP disclosed
EP-3421466-B1 BENZOXAZOLE COMPOUND OR SALT THEREOF, AGRICULTURAL/HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO LTD (JP) 2021-10-27 EP disclosed
EP-3421475-A1 CONDENSED HETEROCYCLIC COMPOUND HAVING BONDED HETEROCYCLES AND SALTS THEREOF, AGRICULTURAL/HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAID INSECTICIDE Nihon Nohyaku Co., Ltd. (JP) 2019-01-02 EP disclosed