SCHEMBL27672802

SCHEMBL27672802

O=C(c1cccnn1)N1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
P2RX7 Q99572 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
KDM5A P29375 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A7 Q99884 1/20 0.36
RIPK1 Q13546 1/20 0.36
GNE Q9Y223 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 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
SCHEMBL30921003 0.79 L3MBTL1 (0.51) NAMPTL3MBTL1P2RX7KDM5ASLC6A7
SCHEMBL26790639 0.76 ACHE (0.54) NAMPTL3MBTL1KDM5AKDM4E
SCHEMBL27491158 0.75 L3MBTL1 (0.47) NAMPTL3MBTL1P2RX7KDM5ASLC6A7
SCHEMBL28859625 0.75 SMN1; SMN2 (0.51) NAMPTL3MBTL1
SCHEMBL11100905 0.73 MKNK1 (0.60) SIGMAR1MKNK1MKNK2CHRNB2CHRNB4
SCHEMBL28578707 0.72 SIGMAR1 (0.47) L3MBTL1SIGMAR1MKNK1MKNK2RXFP1
SCHEMBL3431770 0.72 P2RX7 (0.41) NAMPTL3MBTL1SIGMAR1P2RX7MKNK1
SCHEMBL22904414 0.71 NAMPT (0.42) NAMPTL3MBTL1
SCHEMBL26790988 0.71 KDM5A (0.50) NAMPTL3MBTL1P2RX7KDM5A
SCHEMBL2399787 0.70 SIGMAR1 (0.79) L3MBTL1SIGMAR1CHRNB2CHRNB4CHRNA3

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
CN-85106742-A The preparation method of pyridazinylimidazolicompounds compounds 1986-12-31 CN disclosed