SCHEMBL10721492

SCHEMBL10721492

CCC(C)N(NC(=O)c1ccccc1N)C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ GPR139 Q6DWJ6 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FADS1 O60427 3/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ GRN P28799 1/20 0.37
▸ SORT1 Q99523 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
SCHEMBL9558176 0.79 SLC6A2 (0.43) HPGDSLC6A2SLC6A4SLC6A3GPR139
SCHEMBL9557703 0.78 TSHR (0.41) HPGDSLC6A2SLC6A4SLC6A3GPR139
SCHEMBL9825489 0.74 HSP90AA1 (0.38) HPGDGPR139KDM4ELMNASMN1; SMN2
SCHEMBL9825414 0.73 CYP2C9 (0.48) HPGDGPR139NPC1RAB9ATSHR
SCHEMBL3365999 0.71 TSHR (0.52) HPGDSLC6A2SLC6A4SLC6A3TSHR
SCHEMBL9826137 0.71 ALDH1A1 (0.39) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL9825038 0.70 POLB (0.50) HPGDALDH1A1RAB9ACYP2C9HDAC1
SCHEMBL9496095 0.70 MEN1 (0.51) HPGDGPR139KDM4ENPC1RAB9A
SCHEMBL11782048 0.69 TSHR (0.54) HPGDSLC6A2SLC6A4SLC6A3TSHR
SCHEMBL11782487 0.69 TSHR (0.50) HPGDSLC6A2SLC6A4SLC6A3TSHR

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-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 — — EP disclosed
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