SCHEMBL21394511

SCHEMBL21394511

CCn1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)nn2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 2/20 0.41
MME P08473 1/20 0.40
P2RY14 Q15391 1/20 0.39
LMNA P02545 2/20 0.39
GLS O94925 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
VNN1 O95497 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MET P08581 1/20 0.37

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
SCHEMBL29353756 1.00 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1POLBMME
SCHEMBL29357829 0.92 ALDH1A1 (0.40) SMN1; SMN2RAB9ANPC1POLBMME
SCHEMBL21394769 0.92 ALDH1A1 (0.40) SMN1; SMN2RAB9ANPC1POLBMME
SCHEMBL21384455 0.89 ABCC8 (0.46) SMN1; SMN2RAB9ANPC1P2RY14LMNA
SCHEMBL29356949 0.89 ABCC8 (0.46) SMN1; SMN2RAB9ANPC1P2RY14LMNA
SCHEMBL21394600 0.88 L3MBTL1 (0.47) SMN1; SMN2RAB9ANPC1POLBLMNA
SCHEMBL29356767 0.88 L3MBTL1 (0.47) SMN1; SMN2RAB9ANPC1POLBLMNA
SCHEMBL21394481 0.84 RAB9A (0.46) SMN1; SMN2RAB9ANPC1POLBMME
SCHEMBL29358443 0.84 RAB9A (0.46) SMN1; SMN2RAB9ANPC1POLBMME
SCHEMBL21394765 0.82 L3MBTL1 (0.42) RAB9AP2RY14LMNATP53MAPT

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