SCHEMBL7784547

SCHEMBL7784547

Clc1ccc(NC2CCCCCC2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 2/20 0.59
ALOX12 P18054 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TRPA1 O75762 1/20 0.49
KDM4E B2RXH2 1/20 0.47
APAF1 O14727 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR1H4 Q96RI1 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL3517848 1.00 MAPT (0.59) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1566944 0.98 MAPT (0.57) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3783518 0.85 IDO1 (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3784611 0.85 MAPT (0.45) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3792014 0.84 MAPT (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL12239184 0.84 S1PR1 (0.57) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3784751 0.84 MAPT (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL2094106 0.81 FPR2 (0.45) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7790025 0.81 TRPA1 (0.47) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL29793652 0.81 MAPT (0.45) MAPTMEN1KMT2AHTTSMN1; SMN2

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-1150963-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
WO-2000046214-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-10 WO disclosed