SCHEMBL7436213

SCHEMBL7436213

O=C(O)/C(S)=C/c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
CRHBP P24387 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
CRHR2 Q13324 1/20 0.50
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44

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
SCHEMBL7436220 1.00 KDM4E (0.55) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL7189395 0.81 KDM4E (0.71) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL7490528 0.79 MAOB (0.46) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL7490531 0.79 MAOB (0.46) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL819646 0.79 KDM4E (0.68) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL28492926 0.79 KDM4E (0.55) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL36974 0.79 KDM4E (0.68) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL11268875 0.77 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL5698294 0.76 KDM4E (0.52) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL11670349 0.76 CYP1A2 (0.64) KDM4EMEN1ALDH1A1GAAMAPT

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
US-5760048-A TREATMENT OF STROKE AND NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1998-06-02 US claimed
US-5760048-A TREATMENT OF STROKE AND NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1998-06-02 US disclosed
US-5554767-A NERVOUS SYSTEM, CARDIOVASCULAR, AND BRAIN DISORDERS WARNER-LAMBERT COMPANY (US) 1996-09-10 US disclosed