SCHEMBL21394883

SCHEMBL21394883

Cn1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.40
F10 P00742 2/20 0.40
SIRT2 Q8IXJ6 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
SCHEMBL29356651 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL21394711 0.89 NPC1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL21395180 0.89 RAB9A (0.45) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL29358350 0.89 NPC1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL21394687 0.87 NPC1 (0.43) SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL29354586 0.87 L3MBTL1 (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL21394760 0.87 L3MBTL1 (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL29357020 0.84 NPC1 (0.49) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL21394867 0.84 NPC1 (0.49) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL21394930 0.83 GRM5 (0.40) SMN1; SMN2NPC1TSHRRAB9A

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