SCHEMBL28348692

SCHEMBL28348692

O=C(Nc1[c]cccc1)Nc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.55
RAB9A P51151 8/20 0.55
HTT P42858 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 2/20 0.49
XBP1 P17861 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
STING1 Q86WV6 1/20 0.47
TP53 P04637 2/20 0.46

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
SCHEMBL3754787 0.86 SMN1; SMN2 (0.63) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL9725165 0.84 SMN1; SMN2 (0.44) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL10650999 0.84 MEN1 (0.51) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL16568339 0.84 MAOA (0.64) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL7641652 0.79 MEN1 (0.59) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL11056635 0.79 SMN1; SMN2 (0.74) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL3070329 0.78 KMT2A (0.76) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL3932390 0.75 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL26333583 0.75 MEN1 (0.60) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL3996276 0.74 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2POLBKMT2A

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-110573518-A Substituted bicyclic pyrimidinyl compounds, compositions and uses thereof 尤拉·S·赞特里佐斯 2019-12-13 CN disclosed