SCHEMBL28089645

SCHEMBL28089645

OS1(O)CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 5/20 0.40
IGF1R P08069 3/20 0.40
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
FPR2 P25090 1/20 0.37
ESRRB O95718 1/20 0.37
ESRRG P62508 1/20 0.37
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
MGLL Q99685 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5886091 0.81 KDM4E (0.50) KMT2AKDM4EMAPTALDH1A1GAA
SCHEMBL31252540 0.79 AKR1C3 (0.57) AKR1C3USP2KMT2AKDM4EMAPT
SCHEMBL175497 0.79 MAPT (0.59) USP2KMT2AKDM4EMAPTALDH1A1
SCHEMBL1235260 0.79 KDM4E (0.59) AKR1C3USP2KMT2AKDM4EMAPT
SCHEMBL16635950 0.76 AKR1C3 (0.44) AKR1C3USP2KMT2AKDM4EMAPT
SCHEMBL23705658 0.75 KMT2A (0.53) AKR1C3USP2KMT2AKDM4EMAPT
SCHEMBL382079 0.75 KMT2A (0.58) AKR1C3USP2KMT2AKDM4EMAPT
SCHEMBL1169284 0.75 KDM4E (0.74) USP2KMT2AKDM4EMAPTALDH1A1
SCHEMBL19402 0.74 ALDH1A1 (0.63) AKR1C3KMT2AKDM4EMAPTALDH1A1
Methyl Alcohol SCHEMBL10664077 0.74 KMT2A (0.57) AKR1C3USP2KMT2AKDM4EMAPT

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-105777756-A Heteroaryl compound and application thereof in medicines 广东东阳光药业有限公司 2016-07-20 CN disclosed