SCHEMBL8054907

SCHEMBL8054907

CCCCNc1nc(NCCCC)nc(N(Cc2ccccc2)Cc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.52
MAPK1 P28482 3/20 0.49
TP53 P04637 3/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CASP6 P55212 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CRHR1 P34998 4/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC2A1 P11166 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL6723521 0.81 KCNH3 (0.54) KCNH3ALDH1A1LMNANPSR1MAPT
SCHEMBL9913720 0.81 ALDH1A1 (0.68) KCNH3MAPK1TP53TSHRHTT
SCHEMBL7535691 0.77 TP53 (0.46) KCNH3MAPK1TP53TSHRHTT
SCHEMBL6641031 0.76 SLC29A1 (0.51) KCNH3SMN1; SMN2CRHR1KMT2ACA1
SCHEMBL13784030 0.76 ALDH1A1 (0.62) KCNH3MAPK1TP53TSHRHTT
SCHEMBL11668680 0.74 GAA (0.50) MAPK1TP53TSHRALDH1A1LMNA
SCHEMBL6716597 0.74 SLC29A1 (0.50) KCNH3SMN1; SMN2CRHR1KMT2ACA1
SCHEMBL12732294 0.73 KCNH3 (0.90) KCNH3CA1CA2CA9
SCHEMBL9913724 0.73 SLC29A1 (0.45) KCNH3MAPK1TP53TSHRHTT
SCHEMBL9913739 0.73 KCNH3 (0.90) KCNH3CA1CA2CA9

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-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed