SCHEMBL9024971

SCHEMBL9024971

CSC1CCCN1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC18A3 Q16572 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
FFAR1 O14842 4/20 0.36
HRH3 Q9Y5N1 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL5788854 0.80 KMT2A (0.40) KMT2ASLC18A3L3MBTL1MBTD1L3MBTL3
SCHEMBL3429469 0.75 USP30 (0.39) KMT2ASLC18A3L3MBTL1MBTD1L3MBTL3
SCHEMBL3535701 0.75 MAOA (0.54) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8284787 0.75 MAOA (0.54) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6461584 0.74 LMNA (0.43) MAPTNPSR1KDM4EALDH1A1
SCHEMBL23064524 0.71 KMT2A (0.44) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL484011 0.71 KMT2A (0.44) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL15515642 0.71 KMT2A (0.44) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL28795066 0.71 KMT2A (0.44) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8526124 0.71 KMT2A (0.44) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4093376-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USES BenevolentAI Bio Limited (GB) 2022-11-30 EP disclosed
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed