SCHEMBL7591200

SCHEMBL7591200

CCn1c2ccccc2c2cc(C(=O)C=Cc3ccc(OC)cc3OC)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
ALDH1A1 P00352 6/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 3/20 0.60
TNFRSF1A P19438 1/20 0.60
LMNA P02545 4/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 3/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1B1 Q16678 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAOB P27338 1/20 0.51
HCRTR1 O43613 2/20 0.50
ABCB1 P08183 1/20 0.50
RELA Q04206 2/20 0.49

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
SCHEMBL7592082 0.92 ABCG2 (0.61) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7588249 0.90 MAPT (0.55) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL30274993 0.85 F3 (0.55) MAPTALDH1A1RAB9ASMN1; SMN2TNFRSF1A
SCHEMBL29003694 0.85 F3 (0.55) MAPTALDH1A1RAB9ASMN1; SMN2TNFRSF1A
SCHEMBL7594006 0.82 ABCG2 (0.59) MAPTALDH1A1SMN1; SMN2TNFRSF1ALMNA
SCHEMBL7591205 0.80 ABCG2 (0.61) MAPTALDH1A1RAB9ANPC1TNFRSF1A
SCHEMBL7592084 0.78 ABCG2 (0.61) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL23781994 0.77 MAPT (0.60) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL30000178 0.77 MAPT (0.60) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7188106 0.77 MAPT (1.00) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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-1253141-A1 Substituted carbazoles as tubulin polymerization inhibitors and their use for the treatment of cancer Aventis Pharma S.A. (FR) 2002-10-30 EP disclosed