SCHEMBL27408685

SCHEMBL27408685

O=[C]Cc1ccccc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.59
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CRHBP P24387 1/20 0.48
HTT P42858 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 2/20 0.46
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44
AKR1B10 O60218 1/20 0.42
UGT1A9 O60656 1/20 0.42

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
SCHEMBL27588261 0.82 CXCL8 (0.64) SLC16A3KMT2AMEN1AKR1B10UGT1A9
SCHEMBL7395348 0.77 GAA (0.46) HTTSMN1; SMN2HPGDCYP1A2POLB
SCHEMBL3714690 0.76 PTGS2 (0.60) KMT2ACYP3A4AKR1B10UGT1A9TRPA1
SCHEMBL28165041 0.76 ALDH1A1 (0.52) HTTSMN1; SMN2CYP3A4HPGDCYP1A2
SCHEMBL11207305 0.74 HTT (0.63) KMT2AMEN1HTTTAS1R3TAS1R1
SCHEMBL27602988 0.74 KMT2A (0.55) SLC16A3KMT2AMEN1CRHBPHTT
SCHEMBL3552458 0.74 SLC16A3 (1.00) SLC16A3KMT2AMEN1HPGDCYP1A2
SCHEMBL11747275 0.74 KMT2A (0.52) SLC16A3KMT2AMEN1HTTSMN1; SMN2
SCHEMBL11193641 0.73 HDAC3 (0.49) SMN1; SMN2HPGDPOLBGAAALDH1A1
SCHEMBL11751093 0.73 NPC1 (0.63) KMT2AMEN1SMN1; SMN2JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1047085-A The dipeptides of renin-inhibiting, its preparation method contains the medicament and the application thereof of these dipeptides HOECHST AG (DE) 1990-11-21 CN claimed
CN-1047085-A The dipeptides of renin-inhibiting, its preparation method contains the medicament and the application thereof of these dipeptides HOECHST AG (DE) 1990-11-21 CN disclosed