SCHEMBL6959623

SCHEMBL6959623

[O]C(=O)c1ccnc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
ATR Q13535 1/20 0.37
KDM4C Q9H3R0 3/20 0.37
KDM5A P29375 2/20 0.37
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ASPH Q12797 2/20 0.35
KDM8 Q8N371 2/20 0.35
SLC6A9 P48067 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KDM6B O15054 1/20 0.33
TET3 O43151 1/20 0.33
KDM4A O75164 1/20 0.33
BBOX1 O75936 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
SCHEMBL1031057 0.84 SMN1; SMN2 (0.44) SMN1; SMN2LMNAATRKDM4CKDM5A
SCHEMBL83616 0.84 SMN1; SMN2 (0.59) SMN1; SMN2LMNAKDM4CKDM5AP2RX7
SCHEMBL29486104 0.84 SMN1; SMN2 (0.59) SMN1; SMN2LMNAKDM4CKDM5AP2RX7
SCHEMBL1760077 0.83 KDM4E (0.43) SMN1; SMN2LMNAATRKDM4EALDH1A1
SCHEMBL30961407 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNAATRKDM4CKDM5A
SCHEMBL6637378 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNAATRKDM4CKDM5A
SCHEMBL29741249 0.83 KDM4E (0.43) SMN1; SMN2LMNAATRKDM4EALDH1A1
SCHEMBL27488847 0.83 SMN1; SMN2 (0.57) SMN1; SMN2LMNAKDM4CKDM5AP2RX7
SCHEMBL30961379 0.78 GSK3B (0.41) SMN1; SMN2LMNAATRKDM4CKDM5A
SCHEMBL6967775 0.78 ATR (0.39) SMN1; SMN2LMNAATRKDM4CKDM5A

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed