SCHEMBL5867993

SCHEMBL5867993

Cc1c[nH]c2cc(C(=O)N(CC(=O)NCC3CCN(C4CCCC4)CC3)c3cccc4cccnc34)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
TP53 P04637 3/20 0.36
THRB P10828 1/20 0.36
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CCR3 P51677 2/20 0.34
LDHA P00338 1/20 0.33
F10 P00742 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PANK1 Q8TE04 1/20 0.33
PANK3 Q9H999 1/20 0.33
HTR1A P08908 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 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
SCHEMBL5868125 0.86 MEN1 (0.41) MEN1KMT2ACCR3F10NPSR1
SCHEMBL5868038 0.84 SMN1; SMN2 (0.42) LMNATP53ALDH1A1F10NPSR1
SCHEMBL5868300 0.84 F10 (0.41) THRBALDH1A1MEN1KMT2AF10
Hydrochloric Acid SCHEMBL5868209 0.83 HDAC1 (0.38) ALDH1A1MEN1KMT2AF10NPSR1
SCHEMBL6177113 0.81 KMT2A (0.38) ALDH1A1KMT2ACCR3F10KDM4E
Hydrochloric Acid SCHEMBL4840285 0.80 F10 (0.39) F10HTR1AKDM4EL3MBTL1HPGD
SCHEMBL6420537 0.79 PKM (0.38) LMNATHRBALDH1A1F10KDM4E
SCHEMBL5868118 0.78 F10 (0.39) ALDH1A1F10NPSR1HTT
SCHEMBL5868287 0.77 CCR3 (0.39) CCR3F10CHRM2
SCHEMBL5868222 0.77 F10 (0.43) LMNATP53F10NPSR1HPGD

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
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed