SCHEMBL9686525

SCHEMBL9686525

Cc1ccc(Cc2nccc(N)c2N)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.49
THRB P10828 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CHRM2 P08172 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM3 P20309 1/20 0.41
PKM P14618 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9686545 0.74 MAPT (0.49) MAPTHTTALDH1A1L3MBTL1POLB
SCHEMBL8392797 0.70 LTB4R (0.44) MAPTHTTALDH1A1L3MBTL1MEN1
SCHEMBL9687484 0.70 MAPT (0.44) MAPTHTTALDH1A1L3MBTL1POLB
SCHEMBL903315 0.70 CHRM2 (0.58) MAPTHTTALDH1A1L3MBTL1POLB
SCHEMBL3064440 0.69 NOS2 (0.42) MAPTHTTPOLBTDP1MEN1
SCHEMBL9539887 0.68 PARP1 (0.38) ALDH1A1NPC1
SCHEMBL8012674 0.68 ALDH1A1 (0.41) MAPTALDH1A1POLBLMNAHSP90AB1
SCHEMBL1743766 0.68 PDE3B (0.54) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL19481502 0.68 CHRM2 (0.56) MAPTHTTALDH1A1L3MBTL1POLB
Hydrochloric Acid SCHEMBL10428785 0.67 MAOB (0.38) MAPTALDH1A1L3MBTL1LMNA

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
EP-0295742-B1 NOVEL N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-26 EP disclosed
EP-0295742-A1 Novel N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-21 EP disclosed