SCHEMBL6982897

SCHEMBL6982897

O=C(c1ccc2cc[nH]c2c1)c1cccc(NCC(=O)N2CCC(Nc3ccccn3)CC2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOS2 P35228 1/20 0.41
SYK P43405 1/20 0.39
GHSR Q92847 3/20 0.38
JUN P05412 2/20 0.38
CDK2 P24941 2/20 0.38
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 1/20 0.38
SCD O00767 5/20 0.38
F10 P00742 2/20 0.37
BTK Q06187 1/20 0.36
SMYD3 Q9H7B4 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
SCHEMBL6987898 0.88 MAPK14 (0.38) KDM4EPOLBMAPK1SMN1; SMN2GHSR
SCHEMBL6982128 0.82 SCD (0.42) SCD
SCHEMBL6986945 0.82 F10 (0.53) KDM4EGHSRMAPK14F10SMYD3
Hydrochloric Acid SCHEMBL6985678 0.81 SCD (0.42) SCD
Hydrochloric Acid SCHEMBL6985167 0.81 F10 (0.53) KDM4EGHSRMAPK14F10SMYD3
SCHEMBL6988687 0.79 LMNA (0.45) POLBGHSRMAPK14
SCHEMBL6986755 0.78 MAPK14 (0.39) KDM4EPOLBMAPK1SMN1; SMN2GHSR
SCHEMBL6985540 0.77 MAPK14 (0.40) KDM4EGHSRMAPK14SCD
SCHEMBL6984410 0.77 MAPK14 (0.39) KDM4EPOLBMAPK1SMN1; SMN2GHSR
Hydrochloric Acid SCHEMBL6983385 0.75 SIGLEC9 (0.40) KDM4EPOLBMAPK1SMN1; SMN2SYK

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-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed