SCHEMBL28440412

SCHEMBL28440412

c1ccc2c(c1)Cc1cc(-c3ccc4c(c3)-c3ccccc3C4)ccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 3/20 0.59
NPC1 O15118 2/20 0.59
HPGD P15428 2/20 0.59
RAB9A P51151 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
SRD5A2 P31213 1/20 0.52
CYP1A2 P05177 4/20 0.49
CYP3A4 P08684 3/20 0.49
CNR1 P21554 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 1/20 0.47
MAOA P21397 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46

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
SCHEMBL23581451 0.96 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTNPC1HPGD
SCHEMBL30395577 0.96 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTNPC1HPGD
SCHEMBL3414807 0.96 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTNPC1HPGD
SCHEMBL1482804 0.89 MAPT (0.57) ALDH1A1SMN1; SMN2MAPTNPC1HPGD
SCHEMBL30172496 0.89 MAPT (0.57) ALDH1A1SMN1; SMN2MAPTNPC1HPGD
SCHEMBL1666630 0.89 MAPT (0.57) ALDH1A1SMN1; SMN2MAPTNPC1HPGD
SCHEMBL27614921 0.89 NPC1 (0.52) ALDH1A1SMN1; SMN2MAPTNPC1HPGD
SCHEMBL30535823 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTNPC1HPGD
SCHEMBL28178487 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTNPC1HPGD
SCHEMBL18538676 0.85 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTNPC1HPGD

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
CN-107868030-B Organic compound containing fluorene and application thereof in organic electroluminescent device 中节能万润股份有限公司 2020-08-21 CN disclosed