SCHEMBL21394917

SCHEMBL21394917

Cn1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cc2)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.47
RAB9A P51151 4/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
PDE4D Q08499 1/20 0.45
FPR1 P21462 2/20 0.45
FPR2 P25090 2/20 0.45
FFAR1 O14842 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL29353982 1.00 TSHR (0.54) TSHRMEN1KMT2ATDP1KDM4E
SCHEMBL21394919 0.88 TSHR (0.55) TSHRMEN1KMT2ATDP1KDM4E
SCHEMBL29354577 0.88 TSHR (0.55) TSHRMEN1KMT2ATDP1KDM4E
SCHEMBL21394489 0.87 TSHR (0.50) TSHRMEN1KMT2ATDP1KDM4E
SCHEMBL21394622 0.86 TSHR (0.51) TSHRMEN1KMT2ATDP1KDM4E
SCHEMBL29354586 0.85 L3MBTL1 (0.47) TSHRMEN1KMT2ATDP1KDM4E
SCHEMBL21394760 0.85 L3MBTL1 (0.47) TSHRMEN1KMT2ATDP1KDM4E
SCHEMBL29356947 0.82 L3MBTL1 (0.43) TSHRMEN1KMT2ATDP1KDM4E
SCHEMBL21384407 0.82 L3MBTL1 (0.43) TSHRMEN1KMT2ATDP1KDM4E
SCHEMBL21394600 0.81 L3MBTL1 (0.47) TSHRMEN1KMT2ATDP1KDM4E

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 9 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
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-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