SCHEMBL21394640

SCHEMBL21394640

COc1cccc(Cc2ccc(NC(=O)c3ccc(=O)n(C)n3)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 5/20 0.46
FPR1 P21462 4/20 0.43
FPR2 P25090 4/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 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
SCHEMBL29356856 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL21394631 0.88 L3MBTL1 (0.44) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL21394760 0.87 L3MBTL1 (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL29354586 0.87 L3MBTL1 (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL21394641 0.86 TSHR (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL29356991 0.86 TSHR (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL21395192 0.85 L3MBTL1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21394629 0.84 SIRT2 (0.42) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL21394738 0.84 TSHR (0.45) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL29358376 0.84 SIRT2 (0.42) ALDH1A1MEN1KMT2AMAPTNPC1

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