SCHEMBL9778304

SCHEMBL9778304

CN(C)c1ccc(N2CCC(c3ccc(C(=O)O)cc3)=N2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
MAPT P10636 5/20 0.49
KDM4E B2RXH2 5/20 0.49
GLA P06280 4/20 0.49
NPC1 O15118 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
ALDH1A1 P00352 5/20 0.48
POLB P06746 2/20 0.44
TOP1 P11387 2/20 0.43
ATM Q13315 3/20 0.42
S1PR2 O95136 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL125022 0.84 MAPT (0.71) MAOBMAPTKDM4EGLANPC1
SCHEMBL13753888 0.84 MAPT (0.71) MAOBMAPTKDM4EGLANPC1
SCHEMBL3996280 0.83 ALDH1A1 (0.56) MAOBMAPTKDM4EGLANPC1
SCHEMBL9778415 0.81 MAOB (0.51) MAOBMAPTKDM4EGLANPC1
SCHEMBL9778225 0.81 CYP2A6 (0.50) MAOBMAPTKDM4EGLANPC1
SCHEMBL9778241 0.79 ALDH1A1 (0.48) MAOBMAPTKDM4EGLANPC1
SCHEMBL9778252 0.78 MAOB (0.48) MAOBMAPTKDM4EGLANPC1
SCHEMBL13753887 0.77 MAPT (0.59) MAOBMAPTKDM4EGLANPC1
SCHEMBL5849753 0.73 NPC1 (0.69) MAPTKDM4ENPC1MAPK1RAB9A
SCHEMBL11307968 0.73 KDM4E (0.61) MAOBMAPTKDM4EGLANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992203-A Element comprising pyrazoline compound aligned for net non-centrosymmetry IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
EP-0240106-A2 Non-linear optical elements and compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed
US-4652531-A Fluorescent protein binding assays with unsymmetrical fluorescein derivatives SYNTEX (U.S.A.) INC. (US) 1987-03-24 US disclosed