SCHEMBL21394817

SCHEMBL21394817

CCn1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.67
NPC1 O15118 7/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
TSHR P16473 2/20 0.67
POLB P06746 1/20 0.61
ALDH1A1 P00352 3/20 0.44
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1C Q13936 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
IGF1R P08069 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL29357084 1.00 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL21395051 0.89 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL21394867 0.88 NPC1 (0.49) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL29357020 0.88 NPC1 (0.49) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL21394575 0.87 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL29442886 0.87 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL29356782 0.86 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL21394851 0.86 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL21394481 0.84 RAB9A (0.46) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL29358443 0.84 RAB9A (0.46) RAB9ANPC1SMN1; SMN2TSHRPOLB

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 7 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-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 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