SCHEMBL22164012

SCHEMBL22164012

COc1cc([N+](=O)[O-])c(NCC(=O)OC(C)(C)C)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
HCAR3 P49019 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CDK2 P24941 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL20535567 0.78 LMNA (0.44) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8191430 0.78 ALDH1A1 (0.39) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL4314450 0.78 SMN1; SMN2 (0.53) MAPTAKR1C3AKR1C2LMNAALDH1A1
SCHEMBL30288984 0.76 LMNA (0.43) MAPTLMNAALDH1A1PKMMEN1
SCHEMBL18174193 0.76 LMNA (0.51) MAPTLMNAALDH1A1HCAR3PKM
SCHEMBL8192345 0.76 LMNA (0.41) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL16537127 0.76 LMNA (0.44) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL28848976 0.75 LMNA (0.42) MAPTLMNAALDH1A1SMN1; SMN2HCAR3
SCHEMBL3728013 0.75 ALDH1A1 (0.46) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL8900469 0.75 HCAR3 (0.57) MAPTAKR1C3AKR1C2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111377907-B Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof 杭州百新生物医药科技有限公司 2023-03-28 CN disclosed
CN-111377907-A Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof 杭州百新生物医药科技有限公司 2020-07-07 CN disclosed
WO-2020135507-A1 POLYSUBSTITUTED ANILINOPYRIMIDINE DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF 杭州百新生物医药科技有限公司 2020-07-02 WO disclosed