SCHEMBL13356261

SCHEMBL13356261

Ic1ccc(N2CCN(c3ccccc3)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
MEN1 O00255 5/20 0.57
ATM Q13315 1/20 0.57
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MAPT P10636 9/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NFKB1 P19838 1/20 0.53
HTT P42858 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
LMNA P02545 3/20 0.49
KCNH2 Q12809 1/20 0.47
SORD Q00796 1/20 0.44
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL1432869 0.80 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL13102362 0.79 KMT2A (0.57) KMT2AMEN1ATMNPC1RAB9A
SCHEMBL29377667 0.79 KMT2A (0.57) KMT2AMEN1ATMNPC1RAB9A
SCHEMBL2395006 0.79 KMT2A (0.57) KMT2AMEN1ATMNPC1RAB9A
SCHEMBL29356115 0.79 ALDH1A1 (0.55) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL1928408 0.79 ALDH1A1 (0.55) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL4517601 0.79 HTR3A (0.51) KMT2ARAB9AALDH1A1KDM4E
SCHEMBL1432610 0.78 MAPT (0.53) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3832779 0.77 ME2 (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6590995 0.76 KMT2A (0.72) KMT2AMEN1ATMNPC1RAB9A

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
WO-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed