SCHEMBL11074138

SCHEMBL11074138

CCCCC[C@H]1CC[C@H](c2ncc([C@H]3CC[C@H](CCC)CC3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 3/20 0.40
OPRL1 P41146 1/20 0.37
CYP1A2 P05177 3/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL11073252 1.00 CYP2C9 (0.42) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL11074553 1.00 CYP2C9 (0.42) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL11074551 1.00 CYP2C9 (0.42) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL11071819 0.98 MAPT (0.41) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL11069258 0.98 MAPT (0.41) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL11071814 0.98 MAPT (0.41) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL11069255 0.98 MAPT (0.41) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL11069186 0.97 MEN1 (0.43) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL11069191 0.97 MEN1 (0.43) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL10342402 0.96 CYP2C9 (0.40) CYP2C9MEN1KMT2AMAPTMAPK1

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-4462923-A Disubstituted pyrimidines HOFFMANN-LA ROCHE INC. (US) 1984-07-31 US disclosed