SCHEMBL7101222

SCHEMBL7101222

CCOc1ccccc1C=CC(=O)c1ccc(N)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.76
LMNA P02545 3/20 0.76
ATM Q13315 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
BCHE P06276 2/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
MAOB P27338 3/20 0.56
AR P10275 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54
KEAP1 Q14145 1/20 0.54

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
SCHEMBL8330997 0.89 MAPT (0.80) MAPTLMNAATMSMN1; SMN2BCHE
SCHEMBL8330993 0.89 MAPT (0.80) MAPTLMNAATMSMN1; SMN2BCHE
SCHEMBL13940798 0.86 MAPT (0.76) MAPTLMNAATMSMN1; SMN2BCHE
SCHEMBL10075639 0.86 MAPT (0.76) MAPTLMNAATMSMN1; SMN2BCHE
SCHEMBL7100434 0.86 MAPT (0.64) MAPTLMNAATMSMN1; SMN2BCHE
SCHEMBL7187466 0.85 ABCG2 (0.60) MAPTLMNAATMSMN1; SMN2BCHE
SCHEMBL7187470 0.85 ABCG2 (0.60) MAPTLMNAATMSMN1; SMN2BCHE
SCHEMBL7099853 0.85 MAPT (0.78) MAPTLMNABCHENPC1RAB9A
SCHEMBL9203900 0.84 MAPT (0.73) MAPTLMNAATMSMN1; SMN2BCHE
SCHEMBL9203891 0.84 MAPT (0.73) MAPTLMNAATMSMN1; SMN2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003097577-A1 CHEMICAL COMPOUND CONSISTING OF A NITROGENOUS CHALCONE DERIVATIVE, METHOD OF PRODUCING ONE SUCH CHEMICAL COMPOUND AND FILTERING AND/OR COSMETIC COMPOSITION CONTAINING SAME SYNTH'E163 (SOCIETE ANONYME) (FR) 2003-11-27 WO claimed
WO-2003097577-A1 CHEMICAL COMPOUND CONSISTING OF A NITROGENOUS CHALCONE DERIVATIVE, METHOD OF PRODUCING ONE SUCH CHEMICAL COMPOUND AND FILTERING AND/OR COSMETIC COMPOSITION CONTAINING SAME SYNTH'E163 (SOCIETE ANONYME) (FR) 2003-11-27 WO disclosed