SCHEMBL28062810

SCHEMBL28062810

NC(=O)c1cccnc1-c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
DPP4 P27487 1/20 0.54
PARP1 P09874 2/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 1/20 0.46
RORB Q92753 1/20 0.46
RAB9A P51151 2/20 0.46
CSNK1A1 P48729 1/20 0.45
TYRO3 Q06418 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
JAK2 O60674 1/20 0.44
BCAT2 O15382 1/20 0.43
KCNA5 P22460 1/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
IKBKB O14920 1/20 0.42
LMNA P02545 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
SCHEMBL6772447 0.87 RORB (0.58) SMN1; SMN2DPP4RORBKDM4ETDP1
SCHEMBL29574354 0.85 KDM4E (0.65) SMN1; SMN2DPP4ALDH1A1RORBRAB9A
SCHEMBL6206542 0.85 KDM4E (0.65) SMN1; SMN2DPP4ALDH1A1RORBRAB9A
SCHEMBL6616370 0.82 KDM4E (0.53) SMN1; SMN2PARP1HSD17B10ALDH1A1RAB9A
SCHEMBL29516168 0.82 TDP1 (0.52) SMN1; SMN2PARP1ALDH1A1RORBRAB9A
SCHEMBL1685834 0.82 TDP1 (0.52) SMN1; SMN2PARP1ALDH1A1RORBRAB9A
SCHEMBL4782635 0.81 MAPT (0.55) SMN1; SMN2PARP1RAB9ACSNK1A1TYRO3
SCHEMBL28035470 0.81 CSNK1A1 (0.49) SMN1; SMN2PARP1HSD17B10ALDH1A1RAB9A
SCHEMBL15548944 0.81 BCAT2 (0.61) SMN1; SMN2PARP1HSD17B10ALDH1A1RAB9A
SCHEMBL2330384 0.81 KMT2A (0.50) SMN1; SMN2PARP1HSD17B10ALDH1A1RAB9A

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-105541709-A Method for preparing boscalid SHANG ZHENHUA 2016-05-04 CN claimed
CN-105541709-A Method for preparing boscalid SHANG ZHENHUA 2016-05-04 CN disclosed