SCHEMBL21394581

SCHEMBL21394581

CN1N=C(C(=O)Nc2ccc(Cc3cccc(C(F)(F)F)c3)nn2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
GLS O94925 2/20 0.42
KCNH2 Q12809 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
NPC1 O15118 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR52 Q9Y2T5 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.38
NR3C2 P08235 1/20 0.38

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
SCHEMBL29356718 0.88 RAB9A (0.45) RAB9AGLSNPC1KMT2AMEN1
SCHEMBL21394591 0.88 RAB9A (0.45) RAB9AGLSNPC1KMT2AMEN1
SCHEMBL21394774 0.86 PTGS1 (0.42) RAB9AKCNH2KMT2AMEN1GPR52
SCHEMBL21394590 0.86 RAB9A (0.45) RAB9AGLSNPC1HTTPOLB
SCHEMBL29353907 0.86 RAB9A (0.45) RAB9AGLSNPC1HTTPOLB
SCHEMBL29353835 0.86 RAB9A (0.45) RAB9AGLSMAPTP2RX7
SCHEMBL21394583 0.86 RAB9A (0.45) RAB9AGLSMAPTP2RX7
SCHEMBL29358510 0.85 RAB9A (0.47) RAB9AGLSKMT2AMEN1HTT
SCHEMBL21394513 0.85 RAB9A (0.47) RAB9AGLSKMT2AMEN1HTT
SCHEMBL21394501 0.84 RAB9A (0.44) RAB9AGLSMAPTGPR52ALDH1A1

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 8 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-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed