SCHEMBL21394495

SCHEMBL21394495

CN1N=C(C(=O)Nc2ccc(Cc3ccc(Cl)c(Cl)c3)nn2)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
GLS O94925 2/20 0.39
PGR P06401 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LIPG Q9Y5X9 7/20 0.35
P2RX7 Q99572 1/20 0.35
FSCN1 Q16658 1/20 0.35
LIPC P11150 2/20 0.35
ABL1 P00519 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL29357147 1.00 RAB9A (0.47) RAB9AGLSPGRL3MBTL1HRH3
SCHEMBL21394441 0.92 RAB9A (0.44) RAB9AGLSL3MBTL1FSCN1ALDH1A1
SCHEMBL29356668 0.92 RAB9A (0.44) RAB9AGLSL3MBTL1FSCN1ALDH1A1
SCHEMBL29353835 0.88 RAB9A (0.45) RAB9AGLSP2RX7FSCN1CYP2C19
SCHEMBL21394583 0.88 RAB9A (0.45) RAB9AGLSP2RX7FSCN1CYP2C19
SCHEMBL21394660 0.86 RAB9A (0.47) RAB9APGRL3MBTL1FSCN1ALDH1A1
SCHEMBL29357828 0.86 RAB9A (0.47) RAB9APGRL3MBTL1FSCN1ALDH1A1
SCHEMBL29358510 0.85 RAB9A (0.47) RAB9AGLSL3MBTL1ALDH1A1LMNA
SCHEMBL21394513 0.85 RAB9A (0.47) RAB9AGLSL3MBTL1ALDH1A1LMNA
SCHEMBL21394591 0.84 RAB9A (0.45) RAB9AGLSFSCN1ALDH1A1MAPT

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