SCHEMBL28665286

SCHEMBL28665286

Brc1ccc2ccc(Nc3ccccn3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALOX15 P16050 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
KLF5 Q13887 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 3/20 0.44
MAPK10 P53779 1/20 0.44
GFER P55789 1/20 0.44
BACE1 P56817 1/20 0.42

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
SCHEMBL1702119 0.82 NPC1 (0.59) HTTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2844247 0.82 NPC1 (0.59) HTTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1104644 0.76 KMT2A (0.53) HTTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20913321 0.74 KDM4E (0.48) HTTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1950236 0.73 KMT2A (0.64) HTTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4897079 0.73 KMT2A (0.64) HTTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL221242 0.73 KMT2A (0.76) HTTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29391624 0.73 KMT2A (0.76) HTTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15679551 0.73 KMT2A (0.53) HTTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL22970594 0.72 HTT (0.58) HTTCYP1A2CYP2C19KMT2ANPC1

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-113717158-A 2- (N- (pyridine-2-yl) amino) quinoline derivative and application thereof 河南省人民医院 2021-11-30 CN disclosed