SCHEMBL5190772

SCHEMBL5190772

COc1ccc(NC(=O)N2CCN(C(C)c3ccc4c(c3)OCCO4)C(CC(N)=O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.46
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 5/20 0.43
BLM P54132 1/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.41
BMP1 P13497 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL5193973 0.80 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1BLMMEN1
SCHEMBL5193553 0.77 PDGFRB (0.45) MAPTSMN1; SMN2LMNATP53MEN1
SCHEMBL5191970 0.77 MAPT (0.49) MAPTSMN1; SMN2BLMLMNAPKM
SCHEMBL5194017 0.74 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TP53PKMMEN1
SCHEMBL5193442 0.72 MAPT (0.55) MAPTSMN1; SMN2BLMRAB9AMEN1
SCHEMBL5193461 0.71 HIF1A (0.40) ALDH1A1TP53MEN1KMT2AMAPK1
SCHEMBL5213600 0.71 ALDH1A1 (0.51) MAPTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL5193490 0.70 FAAH (0.50) MAPTTHRBHTTNPSR1
SCHEMBL5199484 0.69 MAPT (0.51) MAPTSMN1; SMN2BLMPKMTSHR
SCHEMBL5194086 0.68 FAAH (0.62) MAPTSMN1; SMN2RAB9AMEN1KMT2A

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