SCHEMBL28522992

SCHEMBL28522992

CNc1cnn(Cc2ccc(F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 2/20 0.51
CREBBP Q92793 1/20 0.50
TCF4 P15884 1/20 0.49
CTNNB1 P35222 1/20 0.49
TAS2R8 Q9NYW2 1/20 0.48
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
SCD5 Q86SK9 1/20 0.46
HPGD P15428 1/20 0.44
SCD O00767 1/20 0.44

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
Hydrochloric Acid SCHEMBL28517900 0.98 LMNA (0.60) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL13452606 0.85 HTT (0.54) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL22355728 0.84 LMNA (0.50) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL19223061 0.83 L3MBTL1 (0.57) LMNAMAPTALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28528222 0.83 LMNA (0.43) LMNAMAPTALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28528265 0.82 L3MBTL1 (0.56) LMNAMAPTALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28524388 0.82 TAS2R8 (0.44) LMNAMAPTALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28531079 0.82 SCD (0.47) LMNAMAPTALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28523096 0.82 EPHB4 (0.44) LMNAMAPTALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28907455 0.81 MAPT (0.44) LMNAMAPTALDH1A1SMN1; SMN2HTT

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
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed
CN-112218865-A Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2021-01-12 CN disclosed