SCHEMBL13984100

SCHEMBL13984100

C=C(OC)c1ccc2c(N3CCN(C(=O)OCC)CC3)nc(-c3ccccc3Cl)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
ABCB1 P08183 1/20 0.46
SMYD3 Q9H7B4 6/20 0.45
HSD17B10 Q99714 3/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GBA1 P04062 1/20 0.43
IDE P14735 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
P2RY12 Q9H244 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4097172 0.92 KMT2A (0.52) KMT2AMEN1ABCB1SMYD3HSD17B10
SCHEMBL13984103 0.92 KMT2A (0.54) KMT2AMEN1ABCB1SMYD3HSD17B10
SCHEMBL13984097 0.91 KMT2A (0.50) KMT2AMEN1ABCB1SMYD3HSD17B10
SCHEMBL4095415 0.91 KMT2A (0.57) KMT2AMEN1ABCB1SMYD3HSD17B10
SCHEMBL13984095 0.91 KMT2A (0.49) KMT2AMEN1ABCB1SMYD3HSD17B10
SCHEMBL4092356 0.90 KMT2A (0.51) KMT2AMEN1ABCB1SMYD3HSD17B10
SCHEMBL13984419 0.89 KMT2A (0.48) KMT2AMEN1ABCB1SMYD3HSD17B10
SCHEMBL13984350 0.89 ABCB1 (0.49) KMT2AMEN1ABCB1HSD17B10MAPT
SCHEMBL4099459 0.89 KMT2A (0.51) KMT2AMEN1ABCB1SMYD3HSD17B10
SCHEMBL4090724 0.88 KMT2A (0.55) KMT2AMEN1ABCB1HSD17B10MAPT

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
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed