SCHEMBL8778029

SCHEMBL8778029

CN(C)c1ccc(Nc2cc(F)c(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 2/20 0.48
▸ KMT2A Q03164 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 9/20 0.42
▸ HTT P42858 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ BAZ1A Q9NRL2 1/20 0.39
▸ MCL1 Q07820 2/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL537011 0.86 EGFR (0.40) ALDH3A1KMT2ARAB9AMEN1NPC1
SCHEMBL1663522 0.79 MAPT (0.54) ALDH3A1KMT2ARAB9AMEN1NPC1
SCHEMBL8778006 0.79 KDM1A (0.40) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL312647 0.77 KDM1A (0.41) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL536827 0.76 NPC1 (0.42) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL312328 0.74 MAPT (0.44) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL31743760 0.73 ALDH3A1 (0.47) ALDH3A1KMT2ARAB9AMEN1NPC1
SCHEMBL313137 0.72 KDM1A (0.36) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL11726706 0.72 RAB9A (0.68) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL19427142 0.69 MAPT (0.52) KMT2AMEN1MAPTALDH1A1RECQL

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
EP-0585127-B1 Thermal Recording sheet JUJO PAPER CO LTD (JP) 1997-12-29 — — EP disclosed
US-5405821-A Containing a 4-hydroxyphenylarylsulfone color developer NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1995-04-11 — — US disclosed
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