SCHEMBL7588249

SCHEMBL7588249

CCn1c2ccccc2c2cc(C(=O)C=Cc3ccccc3OC)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
LMNA P02545 5/20 0.55
NPC1 O15118 2/20 0.55
BCHE P06276 1/20 0.55
RAB9A P51151 1/20 0.55
MAOB P27338 2/20 0.55
NR1H4 Q96RI1 1/20 0.55
HPGD P15428 4/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
GCGR P47871 1/20 0.52
ABCB1 P08183 2/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
KDM4E B2RXH2 3/20 0.51

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 0.90 ABCG2 (0.61) MAPTLMNANPC1RAB9AMAOB
SCHEMBL7591200 0.90 MAPT (0.60) MAPTLMNANPC1RAB9AMAOB
SCHEMBL7594006 0.85 ABCG2 (0.59) MAPTLMNAHPGDABCB1KDM4E
SCHEMBL29003694 0.83 F3 (0.55) MAPTLMNABCHERAB9AMAOB
SCHEMBL30274993 0.83 F3 (0.55) MAPTLMNABCHERAB9AMAOB
SCHEMBL7594011 0.79 KDM4E (0.62) MAPTLMNAHPGDGCGRABCB1
SCHEMBL7588254 0.78 ABCG2 (0.60) MAPTLMNAMAOBHPGDCYP3A4
SCHEMBL16066037 0.78 ABCG2 (0.60) MAPTLMNAMAOBHPGDCYP3A4
SCHEMBL9915666 0.78 CYP1B1 (0.54) MAPTLMNANPC1BCHERAB9A
SCHEMBL27586221 0.77 KDM4E (0.60) MAPTLMNAHPGDKDM4ESMN1; SMN2

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