SCHEMBL21394948

SCHEMBL21394948

Cn1cc(C(=O)Nc2ccc(COc3cccc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GCK P35557 4/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
F10 P00742 6/20 0.44
SLC6A5 Q9Y345 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL29358548 1.00 MEN1 (0.54) MEN1KMT2AGCKRXRARXRB
SCHEMBL22479585 0.89 MEN1 (0.52) MEN1KMT2AGCKRXRARXRB
SCHEMBL21395089 0.89 MEN1 (0.52) MEN1KMT2AGCKRXRARXRB
SCHEMBL21395181 0.88 GCK (0.54) MEN1KMT2AGCKALDH1A1NPC1
SCHEMBL22479582 0.87 MEN1 (0.46) MEN1KMT2AGCKALDH1A1NPC1
SCHEMBL21394759 0.85 MEN1 (0.53) MEN1KMT2AGCKALDH1A1NPC1
SCHEMBL29356860 0.85 ALDH1A1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL21394825 0.85 ALDH1A1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL29354520 0.85 MEN1 (0.53) MEN1KMT2AGCKALDH1A1NPC1
SCHEMBL21394776 0.85 RXFP1 (0.46) MEN1KMT2AGCKRXRARXRB

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