SCHEMBL22043468

SCHEMBL22043468

COc1ccc(-c2nc3cc(NC(=O)[C@H](N)Cc4ccccc4)ccc3o2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.69
▸ POLB P06746 4/20 0.69
▸ RAB9A P51151 4/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ NPC1 O15118 3/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ RXFP1 Q9HBX9 3/20 0.65
▸ THRB P10828 1/20 0.62
▸ KDR P35968 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ TP53 P04637 2/20 0.57
▸ UTRN P46939 1/20 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
SCHEMBL22043476 0.89 SMN1; SMN2 (0.58) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL22043484 0.86 MAPT (0.56) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL2245387 0.82 RAB9A (0.77) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL16939873 0.81 MAPT (0.73) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL2244509 0.81 MAPT (0.79) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL16939846 0.80 SMN1; SMN2 (0.66) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL6665555 0.79 KMT2A (0.65) MAPTRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL30452307 0.79 KMT2A (0.65) MAPTRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL14096592 0.79 MAPT (1.00) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL2247470 0.78 MAPT (0.89) MAPTPOLBRAB9AALDH1A1NPC1

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
WO-2020112605-A1 COMPOUNDS AND METHODS FOR TREATING CHRONIC MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2020-06-04 — — WO disclosed
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