SCHEMBL11211096

SCHEMBL11211096

O=CN/C=C(/NC=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CES1 P23141 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.34
CES2 O00748 2/20 0.34
DAO P14920 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
CYP2A6 P11509 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL11274898 0.77 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1MAPK1TDP1
SCHEMBL15969889 0.76 TDP1 (0.43) RAB9ANPC1ALDH1A1MAPK1TDP1
SCHEMBL8744885 0.76 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1MAPK1MAPT
SCHEMBL11279517 0.73 DEGS1 (0.41) RAB9ANPC1ALDH1A1MAPK1TDP1
SCHEMBL11279520 0.73 DEGS1 (0.41) RAB9ANPC1ALDH1A1MAPK1TDP1
SCHEMBL21753845 0.72 HDAC3 (0.34) RAB9ANPC1ALDH1A1MAPK1TDP1
SCHEMBL8744959 0.72 AKR1C1 (0.43) RAB9ANPC1ALDH1A1MAPK1TDP1
SCHEMBL554490 0.70 RAB9A (0.59) RAB9ANPC1ALDH1A1MAPK1TDP1
SCHEMBL24205250 0.69 AKR1C1 (0.44) RAB9ANPC1ALDH1A1MAPK1TDP1
SCHEMBL3590417 0.68 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1MAPK1TDP1

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-0036519-B1 PROCESS FOR THE PREPARATION OF IMIDAZOLE BASF Aktiengesellschaft (DE) 1983-03-02 EP disclosed
EP-0036519-A1 Process for the preparation of imidazole BASF Aktiengesellschaft (DE) 1981-09-30 EP disclosed