SCHEMBL21394834

SCHEMBL21394834

N#Cc1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.47
ALDH1A1 P00352 2/20 0.47
F10 P00742 4/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
CHEK1 O14757 1/20 0.43
GCK P35557 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.41
P4HTM Q9NXG6 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
SCHEMBL29357578 1.00 SIRT2 (0.47) SIRT2ALDH1A1F10MEN1KMT2A
SCHEMBL21394997 0.85 KCNQ3 (0.57) SIRT2ALDH1A1F10SMN1; SMN2CHEK1
SCHEMBL21395069 0.85 SCD (0.47) SIRT2ALDH1A1F10MEN1KMT2A
SCHEMBL21395188 0.85 MEN1 (0.57) SIRT2ALDH1A1F10MEN1KMT2A
SCHEMBL21395184 0.84 ALDH1A1 (0.45) SIRT2ALDH1A1F10MEN1KMT2A
SCHEMBL21394466 0.83 ALDH1A1 (0.48) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL21395090 0.83 ALDH1A1 (0.51) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL29356935 0.83 ALDH1A1 (0.48) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL22479547 0.82 ALDH1A1 (0.50) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL21394880 0.82 F10 (0.53) SIRT2ALDH1A1F10MEN1KMT2A

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