SCHEMBL29818016

SCHEMBL29818016

CCC(CC)NC(=O)c1cccc(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
TAS1R3 Q7RTX0 5/20 0.55
TAS1R1 Q7RTX1 5/20 0.55
HTT P42858 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL613939 0.87 TAS1R3 (0.73) ALDH1A1L3MBTL1TAS1R3TAS1R1CYP1A2
SCHEMBL266386 0.83 ALDH1A1 (0.69) ALDH1A1L3MBTL1HTTCYP1A2CYP2C19
SCHEMBL15146792 0.80 HTT (0.68) ALDH1A1TAS1R3TAS1R1HTTSMN1; SMN2
SCHEMBL20717755 0.80 ALDH1A1 (0.65) ALDH1A1L3MBTL1TAS1R3TAS1R1HTT
SCHEMBL13753288 0.80 ALDH1A1 (0.61) ALDH1A1L3MBTL1HTTCYP1A2CYP2C19
SCHEMBL13753287 0.80 ALDH1A1 (0.61) ALDH1A1L3MBTL1HTTCYP1A2CYP2C19
SCHEMBL27611123 0.79 ALDH1A1 (0.68) ALDH1A1L3MBTL1HTTCYP1A2CYP2C19
SCHEMBL14000609 0.78 TAS1R3 (0.49) ALDH1A1TAS1R3TAS1R1HTTMEN1
SCHEMBL27548867 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1HTTCYP1A2CYP2C19
SCHEMBL2908806 0.78 HTT (0.63) TAS1R3TAS1R1HTTKMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed