SCHEMBL6016938

SCHEMBL6016938

CCN1CCCC1CNc1nc(NCCN2CCCCC2)nc(Nc2cccc(OCF)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.42
VNN1 O95497 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.38
YES1 P07947 1/20 0.38
SRC P12931 1/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAP3K8 P41279 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
AIMP2 Q13155 1/20 0.36
DRD2 P14416 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL5549907 0.86 VNN1 (0.42) GBA1VNN1
SCHEMBL5554946 0.81 CCNA2 (0.39) GBA1VNN1
SCHEMBL4837957 0.81 GALR1 (0.46) HPGDMAPTMAP3K8DRD2
SCHEMBL4832751 0.77 GALR2 (0.54) GBA1DRD2
SCHEMBL6428767 0.77 VNN1 (0.43) GBA1VNN1KMT2ADRD2ACHE
SCHEMBL6428015 0.75 PRKCQ (0.42) GBA1
SCHEMBL14294122 0.74 GALR1 (0.49) VNN1HPGDMAP3K8KDM4EALDH1A1
SCHEMBL14294121 0.73 MAP3K8 (0.43) VNN1MEN1KMT2AMAPTMAP3K8
SCHEMBL4841107 0.73 CTSL (0.46) VNN1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL14293847 0.72 DRD2 (0.38) VNN1RAB9AMAP3K8DRD2ACHE

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
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US disclosed