SCHEMBL22359670

SCHEMBL22359670

CC(=O)c1ccc(N(N)/C=C\N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NOS3 P29474 2/20 0.40
▸ NOS1 P29475 2/20 0.40
▸ HPGD P15428 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.39
▸ HSD17B1 P14061 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ STS P08842 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL20367492 0.76 MAPT (0.46) MAPTRAB9ANPC1MAPK1KDM4E
SCHEMBL21205039 0.74 MAPT (0.55) MAPTRAB9ANPC1MAPK1KDM4E
SCHEMBL8191180 0.71 MAPT (0.55) MAPTRAB9ANPC1MAPK1KDM4E
SCHEMBL17292706 0.70 ESR1 (0.45) MAPTRAB9ANPC1MAPK1KDM4E
SCHEMBL50646 0.69 MAPT (0.68) MAPTRAB9ANPC1MAPK1KDM4E
SCHEMBL21003589 0.69 KMT2A (0.36) MAPTKDM4EKMT2ALMNAL3MBTL1
SCHEMBL21792294 0.69 TYR (0.38) MAPTRAB9ANPC1MAPK1KDM4E
SCHEMBL20852278 0.69 TAAR1 (0.39) MAPK1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL28717032 0.69 MAPT (0.55) MAPTRAB9ANPC1MAPK1KDM4E
SCHEMBL16746562 0.69 MAPT (0.59) MAPTRAB9ANPC1MAPK1KDM4E

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-3696181-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS Forma Therapeutics, Inc. (US) 2020-08-19 — — EP disclosed
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