SCHEMBL28634302

SCHEMBL28634302

CSc1cc(F)ccc1NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HDAC1 Q13547 4/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CA1 P00915 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
SCHEMBL28349002 0.82 MAPT (0.51) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11322352 0.81 MAPT (0.49) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL30148008 0.78 SMN1; SMN2 (0.67) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL6694651 0.78 SMN1; SMN2 (0.67) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL7839911 0.77 ALDH1A1 (0.46) MAPTRAB9AHTTSMN1; SMN2GAA
SCHEMBL28349080 0.77 KMT2A (0.58) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL3211806 0.77 POLB (0.67) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL1029643 0.77 ALDH1A1 (0.55) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL5958700 0.76 SMN1; SMN2 (0.42) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4938228 0.76 KMT2A (0.62) MAPTRAB9AMEN1KMT2AHTT

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-113416139-B 4-fluorine substituted aryl amine compound and synthetic method thereof 江苏笃行致远新材料科技有限公司 2022-06-03 — — CN disclosed
CN-113416139-A 4-fluorine substituted aryl amine compound and synthetic method thereof 江苏笃行致远新材料科技有限公司 2021-09-21 — — CN disclosed
Send feedback