SCHEMBL6987898

SCHEMBL6987898

O=C(c1ccc2cc[nH]c2c1)c1cccc(NCC(=O)N2CCC(Nc3ccncc3)CC2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.38
GHSR Q92847 3/20 0.37
KDM5A P29375 1/20 0.36
BTK Q06187 4/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
SCD O00767 2/20 0.36
BLK P51451 1/20 0.36
JUN P05412 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
CHRNA7 P36544 1/20 0.35
GPR6 P46095 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL6982897 0.88 KDM4E (0.42) MAPK14GHSRBTKKDM4EPOLB
SCHEMBL6982128 0.88 SCD (0.42) SCD
Hydrochloric Acid SCHEMBL6985678 0.87 SCD (0.42) SCD
SCHEMBL6988687 0.86 LMNA (0.45) MAPK14GHSRPOLB
SCHEMBL6986945 0.81 F10 (0.53) MAPK14GHSRKDM4EF10SMYD3
Hydrochloric Acid SCHEMBL6985167 0.80 F10 (0.53) MAPK14GHSRKDM4EF10SMYD3
SCHEMBL6984410 0.79 MAPK14 (0.39) MAPK14GHSRKDM4EPOLBMAPK1
SCHEMBL6986755 0.79 MAPK14 (0.39) MAPK14GHSRKDM4EPOLBMAPK1
SCHEMBL6985540 0.78 MAPK14 (0.40) MAPK14GHSRKDM4ESCD
Hydrochloric Acid SCHEMBL6983385 0.78 SIGLEC9 (0.40) GHSRBTKKDM4EPOLBMAPK1

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