SCHEMBL28539606

SCHEMBL28539606

COC(=O)Nc1nc2c(C)cccc2n1C(=O)NCCSC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.40
ASAH1 Q13510 5/20 0.34
AGPAT2 O15120 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EGFR P00533 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL159671 0.84 TSHR (0.74) TSHRALDH1A1MAPTASAH1LMNA
SCHEMBL11626517 0.80 TSHR (0.47) TSHRALDH1A1MAPTASAH1AGPAT2
SCHEMBL9716174 0.76 TSHR (0.56) TSHRALDH1A1ASAH1SMN1; SMN2KMT2A
SCHEMBL205803 0.71 TSHR (0.87) TSHRALDH1A1ASAH1LMNASMN1; SMN2
SCHEMBL745175 0.71 ALDH1A1 (0.52) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL28995206 0.70 EGFR (0.36) TSHRALDH1A1MAPTASAH1LMNA
Benomyl SCHEMBL29379464 0.69 TSHR (1.00) TSHRALDH1A1ASAH1LMNASMN1; SMN2
Benomyl SCHEMBL15681 0.69 TSHR (1.00) TSHRALDH1A1ASAH1LMNASMN1; SMN2
Benomyl SCHEMBL8379451 0.69 TSHR (1.00) TSHRALDH1A1ASAH1LMNASMN1; SMN2
Benomyl SCHEMBL3962065 0.68 TSHR (0.98) TSHRALDH1A1ASAH1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113142231-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142223-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142236-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142227-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142224-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142221-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142229-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142220-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142226-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142235-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142222-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142230-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142219-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142225-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142218-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113142228-A Bactericide composition 侨昌现代农业有限公司 2021-07-23 CN disclosed
CN-113040156-A Bactericide composition 侨昌现代农业有限公司 2021-06-29 CN disclosed
CN-113040157-A Bactericide composition 侨昌现代农业有限公司 2021-06-29 CN disclosed
CN-113040155-A Bactericide composition 侨昌现代农业有限公司 2021-06-29 CN disclosed
CN-109169678-B Bactericide and composition thereof 侨昌现代农业有限公司 2021-03-26 CN disclosed