SCHEMBL20041755

SCHEMBL20041755

CC/C(=N\C(C)CC)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 2/20 0.38
AGTR1 P30556 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37

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
SCHEMBL8308609 0.77 ATM (0.55) MAPTSMN1; SMN2L3MBTL1ATMHPGD
SCHEMBL8686358 0.74 MAPT (0.45) MAPTSMN1; SMN2L3MBTL1ATMHPGD
SCHEMBL25743006 0.73 ATM (0.61) MAPTSMN1; SMN2L3MBTL1ATMNPC1
SCHEMBL26372467 0.71 PGR (0.43) MAPTATMHPGDRAB9AALDH1A1
SCHEMBL19356153 0.71 PGR (0.43) MAPTATMHPGDRAB9AALDH1A1
SCHEMBL19098526 0.69 LMNA (0.46) MAPTSMN1; SMN2L3MBTL1ATMRAB9A
SCHEMBL14180869 0.69 LMNA (0.47) MAPTSMN1; SMN2ATMHPGDNPC1
SCHEMBL19066352 0.68 ATM (0.59) MAPTSMN1; SMN2L3MBTL1ATMNPC1
SCHEMBL19066350 0.68 ATM (0.59) MAPTSMN1; SMN2L3MBTL1ATMNPC1
SCHEMBL5419606 0.68 MAPT (0.45) MAPTSMN1; SMN2L3MBTL1ATMHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305783-A1 NOVEL FURAZAN-3-CARBOXYLIC ACID DERIVATIVES AND USE THEREOF IN TREATMENT OF CANCER Freie Universität Berlin (DE) 2018-04-11 EP disclosed