SCHEMBL29358142

SCHEMBL29358142

N#Cc1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.56
TMPRSS4 Q9NRS4 1/20 0.55
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.43
PRKAA2 P54646 1/20 0.43
EGLN2 Q96KS0 1/20 0.42
VNN1 O95497 1/20 0.41
SMO Q99835 1/20 0.41
HIF1A Q16665 1/20 0.41
EP300 Q09472 1/20 0.41
SNCA P37840 1/20 0.41
BACE1 P56817 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 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
SCHEMBL21394753 1.00 SIRT2 (0.56) SIRT2TMPRSS4MEN1KMT2AALDH1A1
SCHEMBL29442822 0.88 SIRT2 (0.50) SIRT2TMPRSS4MEN1KMT2AALDH1A1
SCHEMBL21384381 0.88 SIRT2 (0.50) SIRT2TMPRSS4MEN1KMT2AALDH1A1
SCHEMBL21395196 0.86 TMPRSS4 (0.52) SIRT2TMPRSS4MEN1KMT2ABACE1
SCHEMBL29357102 0.86 TMPRSS4 (0.52) SIRT2TMPRSS4MEN1KMT2ABACE1
SCHEMBL21394767 0.85 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HIF1ASNCA
SCHEMBL29358525 0.85 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HIF1ASNCA
SCHEMBL21394719 0.85 SIRT2 (0.53) SIRT2TMPRSS4MEN1KMT2AEGLN2
SCHEMBL21394959 0.84 TMPRSS4 (0.49) SIRT2TMPRSS4MEN1KMT2ABACE1
SCHEMBL21395185 0.83 TMPRSS4 (0.49) SIRT2TMPRSS4MEN1KMT2ABACE1

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 5 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
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed