SCHEMBL7496576

SCHEMBL7496576

CC(C)(C)N1CCN(C(=O)c2ccnc(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
PROKR1 Q8TCW9 1/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GFER P55789 1/20 0.47
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 4/20 0.42
ALDH1A1 P00352 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
RAB9A P51151 1/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4059188 0.84 POLB (0.59) PROKR1LMNAGFERKDM4EHPGD
SCHEMBL7498578 0.83 LMNA (0.49) SMN1; SMN2LMNAHSD17B10KDM4EHPGD
SCHEMBL6179731 0.82 MEN1 (0.61) SMN1; SMN2PROKR1LMNAHSD17B10GFER
SCHEMBL6179175 0.82 PROKR1 (0.53) SMN1; SMN2PROKR1LMNAHSD17B10GFER
SCHEMBL939096 0.82 PROKR1 (0.63) PROKR1GFERKDM4EHPGDALDH1A1
SCHEMBL937205 0.82 PROKR1 (0.63) SMN1; SMN2PROKR1LMNAHSD17B10GFER
SCHEMBL30667713 0.80 PROKR1 (0.61) PROKR1GFERHPGDALDH1A1MEN1
SCHEMBL1859158 0.80 PROKR1 (0.61) PROKR1GFERHPGDALDH1A1MEN1
SCHEMBL1862840 0.80 CHRNA7 (0.57) PROKR1GFER
SCHEMBL28388805 0.80 RAB9A (0.64) SMN1; SMN2HPGDALDH1A1RAB9AKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 EP disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 WO disclosed