SCHEMBL14159986

SCHEMBL14159986

O=C(NCc1ccccc1)C1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
ALOX5 P09917 1/20 0.40
MAOA P21397 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
BACE1 P56817 1/20 0.40
CHRM4 P08173 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACKR3 P25106 1/20 0.39

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
SCHEMBL3601757 0.92 ACKR3 (0.40) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL3590131 0.91 KMT2A (0.46) ALDH1A1KMT2AMEN1BCHEACHE
SCHEMBL3600013 0.91 SIGMAR1 (0.44) ALDH1A1MAPTPKMBCHEACHE
SCHEMBL3590840 0.91 ACHE (0.40) MAPTPKMBCHEACHEALOX5
SCHEMBL3604419 0.89 ALDH1A1 (0.41) ALDH1A1MAPTPKMBCHEACHE
SCHEMBL3596607 0.88 SIGMAR1 (0.41) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL3603360 0.88 HTR2A (0.48) BCHEACHEALOX5MAOASIGMAR1
SCHEMBL3586986 0.87 KDM4E (0.43) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL3589358 0.87 MEN1 (0.42) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL3598642 0.87 SIGMAR1 (0.48) MAPTPKMBCHEACHEALOX5

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-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed