SCHEMBL30633571

SCHEMBL30633571

COC(=O)C1(c2cccc(Br)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
RECQL P46063 1/20 0.33
CLK2 P49760 2/20 0.32
ADAM17 P78536 2/20 0.32
CLK1 P49759 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL30730228 0.87 GRM5 (0.33) RAB9AGRM5ALDH1A1HPGDMEN1
SCHEMBL24618229 0.84 OPRM1 (0.45) CYP1A2
SCHEMBL12592990 0.83 RAB9A (0.41) RAB9AGRM5ALDH1A1HPGDMEN1
SCHEMBL23089691 0.82 ATM (0.47) LMNAHSD11B1
SCHEMBL29736610 0.82 ATM (0.47) LMNAHSD11B1
SCHEMBL9988608 0.81 GRM5 (0.35) RAB9AGRM5ALDH1A1HPGDMEN1
SCHEMBL19583840 0.81 ALDH1A1 (0.43) RAB9AGRM5ALDH1A1HPGDMEN1
SCHEMBL9989158 0.80 AKR1C1 (0.39) GRM5ALDH1A1HPGDKDM4EHSD11B1
SCHEMBL9988917 0.79 OPRM1 (0.34) GRM5ALDH1A1HPGDGAAPOLB
SCHEMBL9988689 0.78 LMNA (0.36) GRM5ALDH1A1HPGDGAALMNA

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
CN-117043162-A TYK2 selective inhibitors and uses thereof 迈巴制药(南京)有限公司 2023-11-10 CN disclosed