SCHEMBL7435806

SCHEMBL7435806

CCCC1=C(C(=O)O)C(c2cccc3ccccc23)c2c[nH]nc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RCE1 Q9Y256 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR3C2 P08235 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX1 P07099 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.33
CACNA1D Q01668 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ATM Q13315 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL6292367 0.89 NR3C2 (0.49) MEN1KMT2ARCE1MAPTNPSR1
SCHEMBL7441431 0.85 PYGL (0.39) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL7023193 0.84 MTNR1A (0.37) KMT2ACNR1CNR2
SCHEMBL7433747 0.84 ALDH1A1 (0.37) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7434003 0.83 CACNA1D (0.33) MEN1KMT2ANR3C2ALDH1A1HPGD
SCHEMBL7429502 0.83 CYP2C9 (0.42) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL7017886 0.83 CACNA1D (0.31) CACNA1D
SCHEMBL7020208 0.82 KDM4E (0.39) KDM4EALDH1A1HPGDTDP1
SCHEMBL7018953 0.81 GAA (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6292356 0.81 KMT2A (0.33) MEN1KMT2ARCE1MAPTNPSR1

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
WO-2002062795-A9 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2002-10-10 WO claimed