SCHEMBL28565829

SCHEMBL28565829

Cc1ccccc1NC(=O)N1C=Cc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
ITGB1 P05556 4/20 0.47
ITGA4 P13612 4/20 0.47
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
ITGA5 P08648 2/20 0.43
BCHE P06276 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL29510824 1.00 SMN1; SMN2 (0.53) SMN1; SMN2ITGB1ITGA4RAB9ANPC1
SCHEMBL3628702 0.77 P2RX4 (0.46) SMN1; SMN2BCHEKMT2AMEN1LMNA
SCHEMBL28245942 0.76 HDAC3 (0.43) SMN1; SMN2BCHEKMT2A
SCHEMBL16268685 0.76 P2RX4 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1BCHE
Hydrochloric Acid SCHEMBL7562002 0.76 HDAC3 (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
Hydrochloric Acid SCHEMBL991577 0.75 HDAC3 (0.42) SMN1; SMN2BCHEKMT2A
SCHEMBL6168375 0.75 HSD17B3 (0.49) RAB9ANPC1KMT2AMEN1
SCHEMBL16268687 0.74 NAMPT (0.47) BCHE
SCHEMBL4420044 0.74 NAMPT (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3926713 0.73 SDCBP (0.43) SMN1; SMN2KMT2AMEN1LMNAPOLB

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-112142656-B Sulfonyl pyridine amide derivatives and preparation method thereof 杭州职业技术学院 2022-03-18 CN disclosed
CN-112142656-A Sulfonyl pyridine amide derivatives and preparation method thereof 杭州职业技术学院 2020-12-29 CN disclosed