SCHEMBL23620100

SCHEMBL23620100

CC(C)NC(=O)Cc1c(O)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
ANO1 Q5XXA6 1/20 0.46
SLC22A12 Q96S37 1/20 0.44
AKR1B1 P15121 1/20 0.43
P2RX7 Q99572 2/20 0.41
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL23619688 0.83 ALDH1A1 (0.69) ALDH1A1HPGDPOLBL3MBTL1SMN1; SMN2
SCHEMBL25144291 0.78 ANO1 (0.60) HPGDSMN1; SMN2KMT2ALMNAANO1
SCHEMBL24713218 0.77 CA2 (0.48) ALDH1A1HPGDSMN1; SMN2KMT2AANO1
SCHEMBL11280611 0.76 AKR1B1 (0.52) ALDH1A1SMN1; SMN2KMT2ALMNAANO1
SCHEMBL8744794 0.76 AKR1B1 (0.53) ALDH1A1HPGDPOLBL3MBTL1SMN1; SMN2
SCHEMBL8744800 0.76 AKR1B1 (0.53) ALDH1A1HPGDPOLBL3MBTL1SMN1; SMN2
SCHEMBL25144288 0.76 HPGD (0.50) ALDH1A1HPGDPOLBL3MBTL1SMN1; SMN2
SCHEMBL23619805 0.76 SMN1; SMN2 (0.66) ALDH1A1HPGDPOLBSMN1; SMN2KMT2A
SCHEMBL8744811 0.74 SDCBP (0.51) ALDH1A1HPGDPOLBSMN1; SMN2KMT2A
SCHEMBL8744816 0.74 SDCBP (0.51) ALDH1A1HPGDPOLBSMN1; SMN2KMT2A

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
WO-2021136238-A1 FUSED RING COMPOUND AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-07-08 WO disclosed