SCHEMBL10779169

SCHEMBL10779169

CC(=O)Sc1ccc(C(=O)N(C)N(C(=O)c2ccc(Cl)c(Cl)c2)C(C)C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.35
▸ HPGD P15428 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HDAC3 O15379 3/20 0.33
▸ HDAC4 P56524 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC7 Q8WUI4 3/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ HDAC10 Q969S8 3/20 0.33
▸ HDAC11 Q96DB2 3/20 0.33
▸ HDAC8 Q9BY41 3/20 0.33
▸ HDAC6 Q9UBN7 3/20 0.33
▸ HDAC9 Q9UKV0 3/20 0.33
▸ HDAC5 Q9UQL6 3/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33

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
SCHEMBL10775720 0.86 TSHR (0.40) TSHRHPGDSLC6A2SLC6A4SLC6A3
SCHEMBL9558215 0.78 HDAC3 (0.36) TSHRHPGDSLC6A2SLC6A4SLC6A3
SCHEMBL9557839 0.75 HSD11B1 (0.40) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9557233 0.69 TSHR (0.41) TSHRHPGDSLC6A2SLC6A4SLC6A3
SCHEMBL9557416 0.68 TSHR (0.46) TSHRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9557920 0.66 TSHR (0.42) TSHRSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL9557579 0.65 TSHR (0.41) TSHRSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL9557559 0.65 CYP3A4 (0.49) TSHRSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL9825501 0.64 HPGD (0.38) TSHRHPGDSLC6A2SLC6A4SLC6A3
SCHEMBL10718172 0.64 HPGD (0.42) HPGDSMN1; SMN2MCHR1GRNSORT1

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-0245950-A2 Insecticidal n-substituted-n' - substituted-n, n'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-11-19 — — EP disclosed
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