SCHEMBL21394439

SCHEMBL21394439

CN1N=C(C(=O)Nc2ccc(Cc3cc(Cl)ccc3F)nn2)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
HTR1F P30939 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RIPK1 Q13546 1/20 0.35
HPGD P15428 1/20 0.34
GLS O94925 7/20 0.34
SCN9A Q15858 1/20 0.33
ANO1 Q5XXA6 1/20 0.32
P2RX7 Q99572 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL29357953 1.00 RAB9A (0.45) RAB9AHTR1FKDM4EGAAMAPT
SCHEMBL29356668 0.87 RAB9A (0.44) RAB9AMAPTSMN1; SMN2L3MBTL1GLS
SCHEMBL21394441 0.87 RAB9A (0.44) RAB9AMAPTSMN1; SMN2L3MBTL1GLS
SCHEMBL21394583 0.84 RAB9A (0.45) RAB9AMAPTGLSP2RX7
SCHEMBL29353835 0.84 RAB9A (0.45) RAB9AMAPTGLSP2RX7
SCHEMBL21394495 0.82 RAB9A (0.47) RAB9AMAPTHTTL3MBTL1HPGD
SCHEMBL29357147 0.82 RAB9A (0.47) RAB9AMAPTHTTL3MBTL1HPGD
SCHEMBL21394591 0.80 RAB9A (0.45) RAB9AMAPTSMN1; SMN2GLS
SCHEMBL22479672 0.80 RAB9A (0.45) RAB9AKDM4EGAASMN1; SMN2GLS
SCHEMBL29356718 0.80 RAB9A (0.45) RAB9AMAPTSMN1; SMN2GLS

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