SCHEMBL4977595

SCHEMBL4977595

O=C(O)Nc1ccccc1Nc1ncccc1CN(c1cccnc1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOTUM Q6P988 4/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 1/20 0.37
KCNN4 O15554 1/20 0.37
KCNA5 P22460 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
P2RY1 P47900 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35

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
SCHEMBL12141199 0.85 NAMPT (0.44) ALDH1A1LMNASMN1; SMN2RAB9ATSHR
SCHEMBL1367218 0.81 P2RY1 (0.36) ALDH1A1LMNASMN1; SMN2NOTUMGAA
SCHEMBL1368209 0.80 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2KCNN4KCNA5
SCHEMBL1369059 0.79 ALK (0.45) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1368148 0.78 MAP4K4 (0.40) SMN1; SMN2KCNA5NPC1RAB9AHTT
SCHEMBL12140842 0.74 KDM4C (0.33) ALDH1A1LMNASMN1; SMN2KCNN4KCNA5
SCHEMBL1368653 0.73 TAAR1 (0.42) ALDH1A1LMNASMN1; SMN2KCNA5
SCHEMBL1370133 0.72 MAPK1 (0.40) ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL1369281 0.72 TAAR1 (0.37) ALDH1A1LMNASMN1; SMN2KCNA5HTT
SCHEMBL1368740 0.72 HCRTR1 (0.40) ALDH1A1LMNATSHRMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP claimed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed