SCHEMBL19444397

SCHEMBL19444397

CCCCc1cccnc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TYR P14679 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL23633151 0.95 L3MBTL1 (0.47) L3MBTL1ALDH1A1CYP3A4LIPGALOX5
SCHEMBL11198582 0.93 LIPG (0.49) L3MBTL1ALDH1A1CYP3A4LIPGALOX5
SCHEMBL5108741 0.89 L3MBTL1 (0.52) L3MBTL1ALDH1A1MEN1KMT2ANPC1
SCHEMBL6293250 0.87 L3MBTL1 (0.43) L3MBTL1ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL252398 0.86 L3MBTL1 (0.44) L3MBTL1ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL22597437 0.85 GRM5 (0.40) L3MBTL1ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL29031761 0.84 TDP1 (0.49) L3MBTL1CYP3A4CYP2D6CYP2C9LIPG
SCHEMBL27939662 0.82 L3MBTL1 (0.48) L3MBTL1ALDH1A1MEN1KMT2ANPC1
SCHEMBL28182684 0.82 TDP1 (0.47) L3MBTL1CYP3A4LIPGALOX5PTGS2
SCHEMBL461554 0.81 TDP1 (0.50) L3MBTL1LIPGALOX5PTGS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3228616-B1 PYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2019-10-16 EP disclosed
EP-3228616-A1 PYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2017-10-11 EP disclosed
CN-1535958-A Alpha-substituted pyrimidine. thioalkyl and alkyl ether compound �������Ŷ���Լ��������˾ 2004-10-13 CN disclosed
CN-1152022-C Alpha-substituted pyrimidine-thioalkyl and alkylether compounds �������Ŷ���Լ��������˾ 2004-06-02 CN disclosed
CN-1183773-A Alpha-substituted pyrimidine-thioalkyl and alkylether compounds UPJOHN CO (US) 1998-06-03 CN disclosed