SCHEMBL14992159

SCHEMBL14992159

O=[N+]([O-])c1ccccc1NCCc1ccc(Cl)cc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 5/20 0.53
LMNA P02545 2/20 0.53
PKM P14618 2/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KAT2B Q92831 2/20 0.52
MAPK1 P28482 2/20 0.50
IDO1 P14902 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.47
EPAS1 Q99814 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL14992720 0.87 MAPT (0.56) MAPTL3MBTL1ALDH1A1LMNAPKM
SCHEMBL14992107 0.84 MAPT (0.52) MAPTL3MBTL1ALDH1A1LMNAPKM
SCHEMBL14993374 0.77 MAPT (0.50) MAPTL3MBTL1ALDH1A1LMNAPKM
SCHEMBL9683485 0.76 MAPT (0.60) MAPTL3MBTL1ALDH1A1LMNAPKM
SCHEMBL24628522 0.75 ALDH1A1 (0.51) MAPTL3MBTL1ALDH1A1LMNAPKM
SCHEMBL6198859 0.74 KAT2B (0.80) MAPTL3MBTL1ALDH1A1LMNANPC1
SCHEMBL19278391 0.73 ALDH1A1 (0.56) MAPTL3MBTL1ALDH1A1LMNAPKM
SCHEMBL3659532 0.73 LMNA (0.48) MAPTL3MBTL1ALDH1A1LMNAPKM
SCHEMBL14407565 0.73 MAPT (0.57) MAPTL3MBTL1ALDH1A1LMNAPKM
SCHEMBL9272900 0.73 KAT2B (0.72) MAPTL3MBTL1ALDH1A1LMNANPC1

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-2785710-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS ChemoCentryx, Inc. (US) 2014-10-08 EP disclosed
WO-2013082429-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. (US) 2013-06-06 WO disclosed