SCHEMBL8678964

SCHEMBL8678964

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1C[Zr]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CYP2A6 P11509 1/20 0.33
SLC6A4 P31645 5/20 0.33
DHFR P00374 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP2D6 P10635 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TDP2 O95551 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL7039658 0.88 ALDH1A1 (0.36) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4622950 0.88 ALDH1A1 (0.36) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL3996671 0.87 SLC6A4 (0.35) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7150481 0.85 ALDH1A1 (0.32) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7781565 0.84 CYP1A2 (0.40) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1241803 0.84 ALDH1A1 (0.33) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4286443 0.83 ALDH1A1 (0.33) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1454085 0.82 SLC6A2 (0.33) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1452836 0.81 CA12 (0.33) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1451820 0.81 CA12 (0.33) ALDH1A1HPGDMAPTMEN1KMT2A

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
US-5807936-A Transition metal compound TARGOR GMBH (DE) 1998-09-15 US disclosed