SCHEMBL5517869

SCHEMBL5517869

CNc1cccc(F)c1NC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNH2 Q12809 2/20 0.37
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
EGFR P00533 1/20 0.35
PABPC1 P11940 1/20 0.35
MAPK1 P28482 1/20 0.35
PSIP1 O75475 1/20 0.35
KMT2A Q03164 2/20 0.34

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
SCHEMBL463311 0.85 KCNH2 (0.42) ALDH1A1KCNH2SMN1; SMN2MAPK1KMT2A
Hydrochloric Acid SCHEMBL29909089 0.82 KCNH2 (0.41) ALDH1A1KCNH2SMN1; SMN2MAPK1KMT2A
SCHEMBL27663842 0.82 POLB (0.46) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL19365950 0.81 KMT2A (0.36) ALDH1A1TDP1L3MBTL1KCNH2SMN1; SMN2
SCHEMBL4726106 0.78 SMN1; SMN2 (0.46) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL1547937 0.78 MAPT (0.39) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL30662726 0.77
SCHEMBL307353 0.77
SCHEMBL5511146 0.77 IDO1 (0.41) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL9228264 0.76 ACHE (0.50) ALDH1A1MAPTL3MBTL1POLBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2020-06-25 WO disclosed
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed