SCHEMBL4796563

SCHEMBL4796563

N=C(N)Nc1ccc(-c2cc(CCCc3ccccc3)nc(-c3cccc(NC(=O)CCN)c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.46
MMP9 P14780 4/20 0.46
MMP8 P22894 4/20 0.46
MMP13 P45452 3/20 0.46
MAPT P10636 6/20 0.45
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 4/20 0.45
HPGD P15428 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
LMNA P02545 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
SCHEMBL14303803 0.94 MAPT (0.46) MMP2MMP9MMP8MMP13MAPT
SCHEMBL4778353 0.92 MMP2 (0.48) MMP2MMP9MMP8MMP13MAPT
SCHEMBL4778494 0.88 MMP2 (0.45) MMP2MMP9MMP8MMP13MAPT
SCHEMBL4781742 0.88 MMP2 (0.45) MMP2MMP9MMP8MMP13MAPT
SCHEMBL4795559 0.79 SMN1; SMN2 (0.42) MAPTKDM4EKMT2AALDH1A1NPC1
SCHEMBL14302669 0.78 BRAF (0.47) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL4776562 0.78 MMP2 (0.42) MMP2MMP9MMP8MMP13MAPT
SCHEMBL4794989 0.76 GBA1 (0.44) MMP2MMP9MMP8MMP13MAPT
SCHEMBL15245030 0.76 MAPT (0.54) MAPTKDM4EMEN1HPGDKMT2A
SCHEMBL16605554 0.75 MEN1 (0.53) MAPTKDM4EMEN1HPGDKMT2A

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
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed