SCHEMBL9613356

SCHEMBL9613356

O=S(=O)(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.60
▸ PTPN5 P54829 7/20 0.60
▸ PTPN2 P17706 6/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ LMNA P02545 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ HSPD1 P10809 3/20 0.55
▸ HSPE1 P61604 3/20 0.55
▸ CDC7 O00311 1/20 0.53
▸ EEF2K O00418 1/20 0.53

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
SCHEMBL9613293 0.91 PTPN2 (0.64) PTPN1PTPN5PTPN2ALDH1A1MAPT
SCHEMBL8541050 0.76 PIK3CD (0.57) PTPN1PTPN5PTPN2ALDH1A1MAPT
SCHEMBL2243342 0.75 PTPN1 (1.00) PTPN1PTPN5PTPN2ALDH1A1MAPT
SCHEMBL6986051 0.73 LMNA (0.65) PTPN1PTPN5PTPN2ALDH1A1MAPT
SCHEMBL6985862 0.73 ALDH1A1 (0.78) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13480185 0.73 KMT2A (0.77) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1461030 0.73 AURKA (0.67) AURKAAURKB
SCHEMBL13868900 0.73 MAP2K4 (0.68) ALDH1A1AURKAAURKB
SCHEMBL810795 0.73 KMT2A (0.91) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2614387 0.73 SMN1; SMN2 (1.00) ALDH1A1MAPTMEN1KMT2ALMNA

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
WO-2012071414-A2 QUINOXALINE COMPOUNDS AND USES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-05-31 — — WO disclosed
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