SCHEMBL28439072

SCHEMBL28439072

O=C(Oc1ccccc1Nc1ncccn1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
METAP2 P50579 1/20 0.55
METAP1 P53582 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KMT2A Q03164 7/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SLC6A3 Q01959 1/20 0.49
NPC1 O15118 1/20 0.47
NR1I2 O75469 1/20 0.47
TP53 P04637 1/20 0.47
AHR P35869 1/20 0.47
RAB9A P51151 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MAPK8 P45983 2/20 0.46
CAMKK2 Q96RR4 2/20 0.46
PIK3CG P48736 1/20 0.46
MEN1 O00255 2/20 0.44
JAK2 O60674 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL28441623 0.85 KMT2A (0.53) LMNAMETAP2METAP1HDAC6KMT2A
SCHEMBL28442196 0.82 PTK2 (0.49) LMNAMETAP2METAP1HDAC6KMT2A
SCHEMBL9129364 0.81 EGFR (0.47) LMNAKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL27464722 0.76 KMT2A (0.60) LMNAMETAP2METAP1HDAC6KMT2A
SCHEMBL10500172 0.76 KMT2A (0.58) LMNAMETAP2METAP1HDAC6KMT2A
SCHEMBL28444754 0.75 LMNA (0.51) LMNAMETAP2METAP1HDAC6KMT2A
SCHEMBL28462916 0.74 KMT2A (0.59) LMNAMETAP2METAP1HDAC6KMT2A
SCHEMBL16685068 0.74 KMT2A (0.77) LMNAKMT2AMAPTSMN1; SMN2SLC6A3
SCHEMBL9693934 0.74 LMNA (0.65) LMNAMETAP2METAP1HDAC6KMT2A
SCHEMBL27989385 0.74 LMNA (0.65) LMNAMETAP2METAP1HDAC6KMT2A

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-111394747-B Green electrochemical synthesis method of 2-acyloxy aniline derivatives 浙江工业大学 2021-03-30 CN disclosed
CN-111394747-A Green electrochemical synthesis method of 2-acyloxy aniline derivatives 浙江工业大学 2020-07-10 CN disclosed