SCHEMBL4685441

SCHEMBL4685441

[CH2]n1c(CN2CCC(CO)(Cc3cc(Cl)ccn3)CC2)cnc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 3/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
OPRK1 P41145 1/20 0.36
XBP1 P17861 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDE P14735 1/20 0.35
ATM Q13315 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
SCHEMBL4685444 0.89 LMNA (0.43) LMNAGAAMAPTNPSR1MAPK1
SCHEMBL444276 0.81 FNTA (0.48) LMNAGAAMAPTNPSR1MAPK1
SCHEMBL29372490 0.81 FNTA (0.48) LMNAGAAMAPTNPSR1MAPK1
SCHEMBL5371230 0.74 LMNA (0.39) LMNAGAAMAPTNPSR1MAPK1
SCHEMBL7840054 0.72 FNTA (0.49) LMNAGAAALDH1A1KDM4EPOLB
SCHEMBL16239743 0.67 LMNA (0.32) LMNAGAAOPRK1
SCHEMBL2452242 0.67 LMNA (0.32) LMNAGAAOPRK1
SCHEMBL446699 0.67 FNTA (0.53) LMNAGAAMAPTNPSR1KDM4E
SCHEMBL7847643 0.66 FNTA (0.48) LMNAMAPTNPSR1MAPK1ALDH1A1
SCHEMBL7839572 0.65 FNTA (0.55) LMNAGAAMAPTNPSR1MAPK1

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
EP-1496898-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-05-28 EP disclosed