SCHEMBL21394760

SCHEMBL21394760

Cn1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.41
SNCA P37840 1/20 0.40
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
F10 P00742 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
SCHEMBL29354586 1.00 L3MBTL1 (0.47) L3MBTL1TSHRHTTMEN1KMT2A
SCHEMBL21384407 0.93 L3MBTL1 (0.43) L3MBTL1TSHRHTTMEN1KMT2A
SCHEMBL29356947 0.93 L3MBTL1 (0.43) L3MBTL1TSHRHTTMEN1KMT2A
SCHEMBL21394598 0.89 L3MBTL1 (0.56) L3MBTL1TSHRHTTMEN1KMT2A
SCHEMBL21394641 0.89 TSHR (0.47) L3MBTL1TSHRHTTMEN1KMT2A
SCHEMBL29356991 0.89 TSHR (0.47) L3MBTL1TSHRHTTMEN1KMT2A
SCHEMBL29358443 0.88 RAB9A (0.46) TSHRALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL21394481 0.88 RAB9A (0.46) TSHRALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL21394587 0.88 L3MBTL1 (0.47) L3MBTL1TSHRHTTMEN1KMT2A
SCHEMBL21394640 0.87 ALDH1A1 (0.47) L3MBTL1TSHRMEN1KMT2AALDH1A1

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