SCHEMBL5191982

SCHEMBL5191982

COc1ccc(NC(=O)N2CCNC(CC(=O)NCCOc3ccc(C)cc3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KCNA5 P22460 2/20 0.42
BLM P54132 1/20 0.41
GFER P55789 1/20 0.41
CCR3 P51677 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
SCHEMBL5193739 0.87 PKM (0.56) KMT2AMAPTALDH1A1MEN1RAB9A
SCHEMBL5193432 0.83 MAPT (0.50) KMT2AMAPTMEN1RAB9APKM
SCHEMBL5193979 0.81 NAMPT (0.54) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL5193199 0.80 MAPT (0.55) KMT2AMAPTNPC1ALDH1A1MEN1
SCHEMBL5194091 0.79 FAAH (0.53) KMT2ANPC1ALDH1A1MEN1RAB9A
SCHEMBL16178503 0.78 MAPT (0.59) KMT2AMAPTNPC1ALDH1A1MEN1
SCHEMBL5190775 0.78 MAPT (0.49) KMT2AMAPTNPC1ALDH1A1MEN1
SCHEMBL5210355 0.76 CCR2 (0.50) KMT2AMAPTNPC1ALDH1A1MEN1
SCHEMBL6716470 0.74 MAPT (0.65) KMT2AMAPTNPC1ALDH1A1MEN1
SCHEMBL5190612 0.73 KMT2A (0.58) KMT2ANPC1ALDH1A1MEN1HPGD

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-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed