SCHEMBL28442196

SCHEMBL28442196

COc1ccc(Nc2ncccn2)c(OC(=O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.49
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACP1 P24666 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
SLC6A3 Q01959 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
LMNA P02545 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL28439072 0.82 LMNA (0.55) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2481215 0.77 MEN1 (0.60) KMT2AKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL14029066 0.76 KMT2A (0.57) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL26659601 0.76 KMT2A (0.66) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28253627 0.74 KMT2A (0.54) KMT2AALDH1A1SMN1; SMN2SLC6A3MEN1
SCHEMBL13612569 0.72 KMT2A (0.77) KMT2AKDM4EALDH1A1POLBTSHR
SCHEMBL27812148 0.72 MAPT (0.67) KMT2AKDM4EALDH1A1POLBTSHR
SCHEMBL27584637 0.72 ALDH1A1 (0.61) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10436239 0.71 KMT2A (0.60) KMT2AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL411502 0.71 ESR1 (0.69) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A

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