SCHEMBL21394441

SCHEMBL21394441

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
GLS O94925 3/20 0.41
FSCN1 Q16658 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
EGFR P00533 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
GPR52 Q9Y2T5 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL29356668 1.00 RAB9A (0.44) RAB9AGLSFSCN1SMN1; SMN2EGFR
SCHEMBL29357147 0.92 RAB9A (0.47) RAB9AGLSFSCN1LMNAMAPT
SCHEMBL21394495 0.92 RAB9A (0.47) RAB9AGLSFSCN1LMNAMAPT
SCHEMBL22479674 0.87 RAB9A (0.44) RAB9AFSCN1SMN1; SMN2EGFRNPC1
SCHEMBL21394439 0.87 RAB9A (0.45) RAB9AGLSSMN1; SMN2MAPTL3MBTL1
SCHEMBL29353835 0.87 RAB9A (0.45) RAB9AGLSFSCN1LMNAMAPT
SCHEMBL29357953 0.87 RAB9A (0.45) RAB9AGLSSMN1; SMN2MAPTL3MBTL1
SCHEMBL21394583 0.87 RAB9A (0.45) RAB9AGLSFSCN1LMNAMAPT
SCHEMBL21394591 0.85 RAB9A (0.45) RAB9AGLSFSCN1SMN1; SMN2NPC1
SCHEMBL29356718 0.85 RAB9A (0.45) RAB9AGLSFSCN1SMN1; SMN2NPC1

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