SCHEMBL7920176

SCHEMBL7920176

C=C(O)c1ccc2cccc(-c3cccc4cccnc34)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.46
CCR8 P51685 5/20 0.46
LMNA P02545 4/20 0.46
CCR5 P51681 3/20 0.46
MMP2 P08253 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MMP9 P14780 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
MMP8 P22894 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL16502608 0.86 SLC40A1 (0.50) CCR1CCR8LMNACCR5MMP2
SCHEMBL7918689 0.80 KDM4E (0.45) CCR1CCR8LMNACCR5SMN1; SMN2
SCHEMBL16503471 0.80 DOT1L (0.39) CCR1CCR8LMNACCR5MMP2
SCHEMBL16502605 0.79 ALOX15 (0.56) LMNASMN1; SMN2KDM4ETP53MAPT
SCHEMBL7919781 0.78 TNF (0.54) KDM4ECYP3A4CYP2D6HDAC6
SCHEMBL16503545 0.78 LMNA (0.40) CCR1CCR8LMNACCR5MMP2
SCHEMBL7917731 0.77 TNF (0.49) LMNASMN1; SMN2KDM4ETP53CYP3A4
SCHEMBL7913890 0.77 KDM4E (0.38) KDM4EMAPTHTTHDAC1F2
SCHEMBL16502784 0.77 SLC9A1 (0.48) ADRA1APRSS1
SCHEMBL7917427 0.76 F2 (0.41) LMNASMN1; SMN2KDM4EMAPTHDAC6

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-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO disclosed