SCHEMBL24499183

SCHEMBL24499183

COc1ccc(Oc2ccc(NC(=O)CBr)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 4/20 0.59
HTT P42858 1/20 0.59
MTNR1A P48039 3/20 0.58
MTNR1B P49286 3/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56

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
SCHEMBL2589113 0.95 L3MBTL1 (0.69) L3MBTL1ALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL31703797 0.88 MTNR1B (0.78) MTNR1AMTNR1BHPGD
SCHEMBL2169725 0.85 MTNR1A (0.78) L3MBTL1ALDH1A1HTTMTNR1AMTNR1B
SCHEMBL4262750 0.85 RNF4 (0.71) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL5663326 0.85 KMT2A (0.61) ALDH1A1HTTGAARAB9ANPC1
SCHEMBL6407607 0.83 L3MBTL1 (0.63) L3MBTL1ALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL23748676 0.83 RNF4 (0.73) L3MBTL1ALDH1A1HTTMTNR1AMTNR1B
SCHEMBL11642665 0.83 L3MBTL1 (0.63) L3MBTL1ALDH1A1HTTMTNR1AMTNR1B
SCHEMBL4405722 0.83 ALDH1A1 (0.54) ALDH1A1HTTGAASMN1; SMN2RAB9A
SCHEMBL9313874 0.82 L3MBTL1 (0.76) L3MBTL1ALDH1A1HTTSMN1; SMN2RAB9A

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-116963733-A Imidazole compounds as ENPP1 inhibitors 斯汀格瑞治疗股份有限公司 2023-10-27 CN disclosed
WO-2022119928-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 Stingray Therapeutics, Inc. (US) 2022-06-09 WO disclosed