SCHEMBL21394637

SCHEMBL21394637

Cn1nc(C(=O)Nc2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.46
HIF1A Q16665 2/20 0.45
EPAS1 Q99814 2/20 0.45
DEGS1 O15121 1/20 0.45
PTGS1 P23219 2/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NR3C1 P04150 1/20 0.39
LMNA P02545 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
SCHEMBL29358393 1.00 TSHR (0.53) TSHRL3MBTL1HIF1AEPAS1DEGS1
SCHEMBL21394598 0.88 L3MBTL1 (0.56) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL21394633 0.86 TSHR (0.53) TSHRL3MBTL1HIF1AEPAS1KMT2A
SCHEMBL21394572 0.84 TSHR (0.44) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL29357109 0.84 TSHR (0.44) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL29355468 0.83 L3MBTL1 (0.46) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL21394634 0.83 TSHR (0.43) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL21394578 0.83 L3MBTL1 (0.46) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL21394832 0.82 L3MBTL1 (0.47) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL21394641 0.82 TSHR (0.47) TSHRL3MBTL1KMT2AMEN1KDM4E

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