SCHEMBL3455636

SCHEMBL3455636

Cc1cc2nc(-c3[nH]nc4c3CCN(Cc3ccco3)C4)[nH]c2cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 6/20 0.38
KMT2A Q03164 6/20 0.38
HPGD P15428 5/20 0.38
NPSR1 Q6W5P4 5/20 0.38
MAPT P10636 5/20 0.38
HSD17B10 Q99714 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.38
CASP1 P29466 3/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.36

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
SCHEMBL3455866 0.85 DRD2 (0.44) ALDH1A1KDM4EKMT2AHPGDNPC1
SCHEMBL3455305 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AHPGDNPSR1
SCHEMBL3455100 0.82 BRD4 (0.38) ALDH1A1KDM4EKMT2AHPGDNPSR1
SCHEMBL3455882 0.82 DRD2 (0.47) ALDH1A1CLPP
SCHEMBL13070128 0.81 DRD2 (0.38) ALDH1A1KDM4EKMT2AMAPTNPC1
SCHEMBL3455104 0.81 MEN1 (0.47) KMT2AMAPTMEN1GAAATM
SCHEMBL3456801 0.81 KIT (0.41) HSD17B10CLPP
SCHEMBL3462996 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AHPGDNPSR1
SCHEMBL3455936 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2AHPGDNPSR1
SCHEMBL3459961 0.80 MEN1 (0.46) ALDH1A1KDM4EKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed