SCHEMBL28998071

SCHEMBL28998071

COc1ccc2cc3c(N)cccc3nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
KMT2A Q03164 6/20 0.60
KDM4E B2RXH2 6/20 0.60
POLB P06746 4/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
LMNA P02545 2/20 0.60
GAA P10253 2/20 0.60
HPGD P15428 2/20 0.60
GLA P06280 1/20 0.60
PTBP1 P26599 1/20 0.60
RCE1 Q9Y256 1/20 0.60
MEN1 O00255 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NQO2 P16083 1/20 0.53
NCF1 P14598 1/20 0.49
MAPT P10636 4/20 0.47
BLM P54132 2/20 0.47
THRB P10828 1/20 0.47
CASP6 P55212 1/20 0.47

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
SCHEMBL9406609 0.88 ALDH1A1 (0.60) ALDH1A1KMT2AKDM4EPOLBRAB9A
SCHEMBL8628036 0.78 KMT2A (0.70) ALDH1A1KMT2AKDM4EPOLBRAB9A
Hydrochloric Acid SCHEMBL28888962 0.77 KMT2A (0.68) ALDH1A1KMT2AKDM4EPOLBRAB9A
SCHEMBL249717 0.76 CYP1A2 (0.55) ALDH1A1KMT2AKDM4EPOLBHPGD
SCHEMBL29792825 0.76 CYP1A2 (0.55) ALDH1A1KMT2AKDM4EPOLBHPGD
SCHEMBL1408871 0.76 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4EPOLBRAB9A
SCHEMBL29863459 0.76 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EPOLBRAB9A
SCHEMBL167452 0.76 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EPOLBRAB9A
SCHEMBL5205165 0.76 KDM4E (0.49) ALDH1A1KMT2AKDM4EPOLBRAB9A
SCHEMBL5746405 0.76 CYP1A2 (0.55) ALDH1A1KMT2ARAB9AGAARCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102495-A 1,2,3, 4-tetrahydro-9-aminoacridine compound and application thereof 浙江工业大学 2023-05-12 CN disclosed