SCHEMBL6602148

SCHEMBL6602148

CN1CCN(c2cc([N+](=O)[O-])c3nc(C(=O)O)cc(OCc4ccccc4)c3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.49
SIRT6 Q8N6T7 5/20 0.46
HTR6 P50406 4/20 0.44
LRRK2 Q5S007 2/20 0.43
POLB P06746 1/20 0.42
NEK2 P51955 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL6080321 0.92 MET (0.49) METSIRT6HTR6LRRK2USP2
SCHEMBL6597732 0.91 POLB (0.48) METLRRK2POLBCYP2D6CYP2C9
SCHEMBL6597740 0.91 POLB (0.48) METLRRK2POLBCYP2D6CYP2C9
SCHEMBL6602382 0.90 ALDH1A1 (0.44) POLBMAPTMAPK1KMT2A
SCHEMBL6080327 0.85 SIRT6 (0.44) METSIRT6HTR6CYP2D6CYP2C9
SCHEMBL6080362 0.84 POLB (0.45) METLRRK2POLBCYP2C9MAPT
SCHEMBL6081022 0.84 ALDH1A1 (0.49) MAPTMAPK1KMT2A
SCHEMBL6594175 0.81 CTSV (0.44) POLB
SCHEMBL6594775 0.81 CTSV (0.44) POLB
SCHEMBL6594769 0.81 CTSV (0.44) POLB

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-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed