SCHEMBL9847486

SCHEMBL9847486

C=CCN(CC=C)c1ccc(Nc2ccc(N(c3ccc(N(CC=C)CC=C)cc3)c3ccc(N(CC=C)CC=C)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CHKA P35790 1/20 0.39
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
EGFR P00533 1/20 0.34
KDM1A O60341 1/20 0.34
NPY5R Q15761 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7162904 0.88 CHKA (0.46) GAACHKAMAPTCYP1A2KDM4E
SCHEMBL6466250 0.88 CHKA (0.46) GAACHKAMAPTCYP1A2KDM4E
SCHEMBL2361806 0.87 CYP1A2 (0.49) GAAMAPTCYP1A2KDM1ANPY5R
SCHEMBL9559165 0.85 MAPT (0.44) GAACHKAMAPTCYP1A2KDM1A
SCHEMBL851567 0.81 CHKA (0.50) GAACHKACYP1A2ALDH1A1MAPK1
SCHEMBL8596377 0.78 GAA (0.40) GAACHKAMAPTCYP1A2MEN1
SCHEMBL2361630 0.78 CA1 (0.50) GAACHKAMAPTCYP1A2MEN1
SCHEMBL7590353 0.78 ALDH1A1 (0.52) GAACHKAMAPTCYP1A2MEN1
SCHEMBL13727649 0.77 CHKA (0.39) CHKAALDH1A1CRHR1CNR1CNR2
SCHEMBL7162908 0.77 CHKA (0.39) CHKAMEN1KMT2AALDH1A1ATM

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-0424785-A2 Medium for optical recording BASF Aktiengesellschaft (DE) 1991-05-02 EP disclosed
EP-0346726-A2 Optical recording medium BASF Aktiengesellschaft (DE) 1989-12-20 EP disclosed