SCHEMBL24747253

SCHEMBL24747253

Cc1ccc(N2CCC3(CCOCC3)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 8/20 0.42
LRRK2 Q5S007 4/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.41
AOC3 Q16853 2/20 0.40
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL20037582 0.86 CYP11B1 (0.43) LRRK2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL255401 0.84 MAPT (0.55) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL20092040 0.82 PIK3CA (0.43) LRRK2ALDH1A1MAPTHSD17B10POLB
SCHEMBL23107822 0.81 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL24745807 0.81 VNN1 (0.39) VNN1LRRK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL12595116 0.80 LGMN (0.45) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL18053622 0.80 JAK2 (0.39) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL24745808 0.80 CHRNB2 (0.42) LRRK2
SCHEMBL17207204 0.79 ELANE (0.41) ALDH1A1MAPTSMN1; SMN2RAB9AAOC3
SCHEMBL17664588 0.78 ELANE (0.41) AOC3

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-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed