SCHEMBL21394916

SCHEMBL21394916

COc1ccc(CNc2ccc(CCl)nn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
MAPT P10636 4/20 0.63
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 1/20 0.55
CLK4 Q9HAZ1 5/20 0.47
VNN1 O95497 2/20 0.45
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CLK1 P49759 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
DYRK1A Q13627 2/20 0.41
PTGDR Q13258 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL21384146 0.85 RAB9A (0.63) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL21394822 0.78 NPC1 (0.51) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL29442815 0.78 NPC1 (0.51) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL21384064 0.75 RAB9A (0.62) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL21384037 0.74 NPC1 (0.60) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL21384221 0.74 NPC1 (0.60) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1753019 0.74 NPC1 (0.86) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL2308761 0.73 NPC1 (0.68) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL24460958 0.73 CLK4 (0.53) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL16290847 0.73 NPC1 (0.58) RAB9ANPC1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed