SCHEMBL23969680

SCHEMBL23969680

CCc1ccc(N/C=C\C=N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 3/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2A6 P11509 1/20 0.36
SRC P12931 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
SCHEMBL18059186 0.81 HRH3 (0.38) TAAR1HDAC3HDAC6
SCHEMBL21770321 0.81 KDM4E (0.31) CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL21770155 0.81 PRSS1 (0.35) RAB9ANPC1MEN1KMT2ACYP2C9
SCHEMBL27401957 0.76 HPGD (0.40) RAB9ANPC1HPGDMEN1APAF1
SCHEMBL14326960 0.74 SMN1; SMN2 (0.33) RAB9ANPC1MEN1APAF1ALDH1A1
SCHEMBL14627607 0.73 KMT2A (0.50) RAB9ANPC1MEN1ALDH1A1GAA
SCHEMBL16642045 0.73 KMT2A (0.50) RAB9ANPC1MEN1ALDH1A1GAA
SCHEMBL23969707 0.72 CYP2C9 (0.41) RAB9ANPC1HPGDMEN1APAF1
SCHEMBL13373993 0.71 CYP2A6 (0.46) RAB9ANPC1HPGDMEN1APAF1
SCHEMBL3560236 0.71 ALDH1A1 (0.50) RAB9ANPC1HPGDMEN1APAF1

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
EP-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed