SCHEMBL21394572

SCHEMBL21394572

Cn1nc(C(=O)Nc2ccc(Cc3cc(F)cc(F)c3)cn2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
NTRK1 P04629 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
GRM5 P41594 3/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL29357109 1.00 TSHR (0.44) TSHRL3MBTL1TDP1KDM4EMEN1
SCHEMBL21394626 0.94 L3MBTL1 (0.46) TSHRL3MBTL1TDP1KDM4EMEN1
SCHEMBL29357041 0.94 L3MBTL1 (0.46) TSHRL3MBTL1TDP1KDM4EMEN1
SCHEMBL21394739 0.91 TSHR (0.40) TSHRL3MBTL1TDP1KDM4EMEN1
SCHEMBL29356991 0.91 TSHR (0.47) TSHRL3MBTL1TDP1KDM4EMEN1
SCHEMBL21394641 0.91 TSHR (0.47) TSHRL3MBTL1TDP1KDM4EMEN1
SCHEMBL21394634 0.91 TSHR (0.43) TSHRL3MBTL1TDP1KDM4EMEN1
SCHEMBL29357585 0.91 ALDH1A1 (0.41) TSHRL3MBTL1TDP1KDM4EMEN1
SCHEMBL21394628 0.91 ALDH1A1 (0.41) TSHRL3MBTL1TDP1KDM4EMEN1
SCHEMBL21394578 0.88 L3MBTL1 (0.46) TSHRL3MBTL1TDP1KDM4EMEN1

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