SCHEMBL21395053

SCHEMBL21395053

CN1N=C(C(=O)Nc2ccc(Cc3cccc(Br)c3)cn2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PARP1 P09874 5/20 0.37
CSF1R P07333 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
SORT1 Q99523 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 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
SCHEMBL29353770 1.00 RAB9A (0.44) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL22479693 0.89 RAB9A (0.45) RAB9APARP1CSF1RMAPTSMN1; SMN2
SCHEMBL21394773 0.89 RAB9A (0.44) RAB9ANPC1MEN1KMT2APARP1
SCHEMBL29358581 0.89 RAB9A (0.44) RAB9ANPC1MEN1KMT2APARP1
SCHEMBL29354631 0.89 RAB9A (0.44) RAB9ANPC1MEN1KMT2APARP1
SCHEMBL21394559 0.89 RAB9A (0.44) RAB9ANPC1MEN1KMT2APARP1
SCHEMBL21394808 0.88 RAB9A (0.47) RAB9ANPC1MEN1KMT2APARP1
SCHEMBL29359190 0.88 RAB9A (0.47) RAB9ANPC1MEN1KMT2APARP1
SCHEMBL21394592 0.87 RAB9A (0.43) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL21394663 0.87 RAB9A (0.43) RAB9ANPC1MEN1KMT2APARP1

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