SCHEMBL14376014

SCHEMBL14376014

Cc1ccc(N(C)C2CCOCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
JAK2 O60674 4/20 0.44
MAPK1 P28482 1/20 0.41
PDE4B Q07343 1/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.35
USP30 Q70CQ3 1/20 0.35
JAK1 P23458 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
ELOVL1 Q9BW60 1/20 0.34
PDE1B Q01064 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 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
SCHEMBL14241707 0.83 LMNA (0.47) LMNASMN1; SMN2JAK2PDE4BALDH1A1
SCHEMBL14241412 0.83 SMN1; SMN2 (0.47) LMNASMN1; SMN2JAK2PDE4BALDH1A1
SCHEMBL14349672 0.80 LMNA (0.45) LMNASMN1; SMN2JAK2PDE4BUSP30
SCHEMBL27302585 0.79 JAK2 (0.48) LMNASMN1; SMN2JAK2USP30JAK1
SCHEMBL6887260 0.79 USP30 (0.57) LMNASMN1; SMN2ALDH1A1USP30JAK1
SCHEMBL18694469 0.79 LMNA (0.50) LMNASMN1; SMN2JAK2PDE4BALDH1A1
SCHEMBL27302588 0.79 LMNA (0.44) LMNASMN1; SMN2JAK2PDE4BALDH1A1
SCHEMBL19145770 0.78 MAPK1 (0.53) LMNASMN1; SMN2MAPK1PDE4BALDH1A1
SCHEMBL14376065 0.78 LMNA (0.44) LMNASMN1; SMN2JAK2PDE4BALDH1A1
SCHEMBL14241708 0.77 JAK2 (0.49) LMNASMN1; SMN2JAK2ALDH1A1NPC1

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-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed