SCHEMBL8944590

SCHEMBL8944590

CN1CCN(Cc2ccc(Cl)cc2Cl)C(C2=NCCCN2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
CCR4 P51679 2/20 0.37
CYP2A13 Q16696 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL2387265 0.94 KDM4E (0.44) KDM4ETDP1ALDH1A1POLBNISCH
SCHEMBL8944853 0.82 SIGMAR1 (0.44) KDM4ETDP1ALDH1A1POLBNISCH
SCHEMBL8944755 0.81 LMNA (0.40) KMT2ANISCH
SCHEMBL8944625 0.80 NISCH (0.41) NISCHSIGMAR1
SCHEMBL8944840 0.80 KDM4E (0.43) KDM4ETDP1ALDH1A1POLBCCR4
SCHEMBL8944702 0.79 NISCH (0.42) NISCHSIGMAR1
SCHEMBL9036092 0.78 KDM4E (0.45) KDM4ETDP1ALDH1A1POLBKMT2A
SCHEMBL8944902 0.77 CYP2A13 (0.39) KDM4EALDH1A1POLBNISCHCYP2A13
SCHEMBL2386441 0.75 KDM4E (0.47) KDM4ETDP1ALDH1A1POLBKMT2A
SCHEMBL8944498 0.75 TAAR1 (0.42) NISCH

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
US-5500426-A ADMINISTERED TO IMPROVE GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-03-19 US disclosed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US disclosed