SCHEMBL28589136

SCHEMBL28589136

O=C(NOCc1ccccc1)c1cccnc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
NPC1 O15118 6/20 0.58
RAB9A P51151 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PTGS2 P35354 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
GFER P55789 1/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 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
SCHEMBL29516862 1.00 POLB (0.64) POLBNPC1RAB9AL3MBTL1LMNA
SCHEMBL1715521 0.80 KDR (0.55) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL4324471 0.80 NPC1 (0.51) POLBNPC1RAB9AL3MBTL1PTGS2
SCHEMBL2902134 0.80 SMN1; SMN2 (0.50) POLBNPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL1714806 0.80 KDR (0.58) POLBNPC1RAB9AL3MBTL1LMNA
SCHEMBL1714828 0.79 NPC1 (0.50) POLBNPC1RAB9AL3MBTL1LMNA
SCHEMBL3579374 0.78 POLB (1.00) POLBRAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL920392 0.78 NSD2 (0.66) POLBL3MBTL1LMNASMN1; SMN2GAA
SCHEMBL24003686 0.77 P2RX7 (0.64) POLBNPC1LMNASMN1; SMN2GFER
SCHEMBL1715758 0.76 KDR (0.62) LMNAMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113004196-A N- (benzyloxy) -2-chloronicotinamides compound and preparation method and application thereof 浙江工业大学 2021-06-22 CN claimed
CN-113004196-B N- (benzyloxy) -2-chloronicotinamides compound and preparation method and application thereof 浙江工业大学 2022-05-13 CN disclosed
CN-113004196-B N- (benzyloxy) -2-chloronicotinamides compound and preparation method and application thereof 浙江工业大学 2022-05-13 CN disclosed
CN-113004196-B N- (benzyloxy) -2-chloronicotinamides compound and preparation method and application thereof 浙江工业大学 2022-05-13 CN disclosed
CN-113004196-A N- (benzyloxy) -2-chloronicotinamides compound and preparation method and application thereof 浙江工业大学 2021-06-22 CN disclosed
CN-113004196-A N- (benzyloxy) -2-chloronicotinamides compound and preparation method and application thereof 浙江工业大学 2021-06-22 CN disclosed
CN-113004196-A N- (benzyloxy) -2-chloronicotinamides compound and preparation method and application thereof 浙江工业大学 2021-06-22 CN disclosed