SCHEMBL8773935

SCHEMBL8773935

CCc1n[nH]c(N(C(C)=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.36
MT-CO2 P00403 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALPL P05186 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 2/20 0.34
SLC2A1 P11166 1/20 0.33
MMP1 P03956 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8773916 0.73 NPY5R (0.44) LMNAALDH1A1L3MBTL1TP53RAB9A
SCHEMBL8987839 0.70 MMP2 (0.41) MMP2MMP9NPSR1LMNAGAA
SCHEMBL8987840 0.68 MMP2 (0.40) MMP2MMP9NPSR1LMNAGAA
SCHEMBL28763259 0.67 MT-CO2 (0.57) NPSR1LMNAGAAMT-CO2ALDH1A1
SCHEMBL8987900 0.63 MAPK14 (0.38) MMP2MMP9NPSR1LMNAGAA
SCHEMBL14472417 0.62 HAO1 (0.36) NPSR1LMNAGAATP53MAPT
SCHEMBL11142995 0.62 ALDH1A1 (0.51) NPSR1LMNAGAAALDH1A1MAPT
SCHEMBL197621 0.61 NPSR1 (0.56) NPSR1LMNAGAAMT-CO2ALDH1A1
SCHEMBL24806572 0.60 GAA (0.60) NPSR1LMNAGAAALDH1A1TP53
SCHEMBL11271112 0.60 ALDH1A1 (0.44) MMP2MMP9LMNAALDH1A1L3MBTL1

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-0802907-A1 ACYLATED 5-AMINOPYRAZOLES AND THE USE THEREOF TO COMBAT ANIMAL PARASITES BAYER AG (DE) 1997-10-29 EP disclosed
WO-1996021653-A1 ACYLATED 5-AMINOPYRAZOLES AND THE USE THEREOF TO COMBAT ANIMAL PARASITES BAYER AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed