SCHEMBL21373604

SCHEMBL21373604

[c]1cncnc1-c1ccc2[nH]cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.37
QPCTL Q9NXS2 4/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRKCI P41743 2/20 0.34
RAD52 P43351 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
MMP12 P39900 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL6008269 0.77 MAPT (0.50) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL31143361 0.77 MAPT (0.50) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL2810219 0.77 QPCT (0.41) QPCTQPCTLMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL2840581 0.76 QPCT (0.40) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL23123086 0.73 QPCT (0.51) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL2474515 0.71 QPCT (0.60) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL15190605 0.71 ALDH1A1 (0.39) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL27601236 0.70 QPCT (0.41) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL21373530 0.70 FGFR1 (0.50) MAPTKDM4E
SCHEMBL21387779 0.70 QPCT (0.38) QPCTQPCTLMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543231-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2019-09-25 EP claimed
EP-3568133-B1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH ZUERICH (CH) 2023-12-13 EP disclosed
CN-116462666-A Cytoprotective compounds and uses thereof 瑞士苏黎世联邦理工学院 2023-07-21 CN disclosed
EP-3543231-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2019-09-25 EP disclosed