SCHEMBL21394436

SCHEMBL21394436

CN1N=C(C(=O)Nc2ccc(COc3cccc(Cl)c3)nn2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAOB P27338 1/20 0.37
PPARG P37231 2/20 0.36
HRH3 Q9Y5N1 4/20 0.36
HTR2C P28335 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL29353929 1.00 RAB9A (0.43) RAB9ALMNAPOLBRXFP1MAPT
SCHEMBL22479584 0.86 MEN1 (0.48) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL21394583 0.84 RAB9A (0.45) RAB9ALMNARXFP1MAPTCYP2C19
SCHEMBL22479672 0.84 RAB9A (0.45) RAB9ARXFP1ALDH1A1NPC1
SCHEMBL29353835 0.84 RAB9A (0.45) RAB9ALMNARXFP1MAPTCYP2C19
SCHEMBL29358553 0.81 ABL1 (0.46) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL21394502 0.81 ABL1 (0.46) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL29357271 0.81 MEN1 (0.46) RAB9AMEN1KMT2AMAOBRXRA
SCHEMBL21394936 0.81 MEN1 (0.46) RAB9AMEN1KMT2AMAOBRXRA
SCHEMBL22479445 0.80 LMNA (0.43) RAB9ALMNAMAPTMEN1KMT2A

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