SCHEMBL22641024

SCHEMBL22641024

CC(=O)c1ccc(Cc2cnccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.50
SYK P43405 1/20 0.46
TBXAS1 P24557 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 4/20 0.41
VNN1 O95497 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAOA P21397 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6948039 0.83 LMNA (0.53) KMT2ALMNASYKTBXAS1MAOB
SCHEMBL11062489 0.77 TBXAS1 (0.69) KMT2ALMNATBXAS1NPC1RAB9A
SCHEMBL6859304 0.75 KMT2A (1.00) KMT2ALMNATSHRSMN1; SMN2RAB9A
SCHEMBL1772554 0.75 HRH3 (0.44) LMNASMN1; SMN2NPC1RAB9AHRH3
SCHEMBL28172483 0.75 RAB9A (0.50) LMNASYKSMN1; SMN2RAB9A
SCHEMBL3048473 0.74 ALDH1A1 (0.50) KMT2AVNN1HRH3L3MBTL1
SCHEMBL27665378 0.73 KMT2A (0.53) KMT2ALMNATSHRSMN1; SMN2NPC1
SCHEMBL24287923 0.72 KDM4E (0.39) KMT2ALMNATSHRTBXAS1SMN1; SMN2
SCHEMBL1521573 0.71 HSP90AA1 (0.43) TSHRVNN1HDAC3HDAC1HDAC2
SCHEMBL4086758 0.71 IDO1 (0.44) KMT2ALMNATSHRSYKSMN1; SMN2

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-3116858-B1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2020-11-11 EP disclosed