SCHEMBL21394570

SCHEMBL21394570

CN1N=C(C(=O)Nc2cc(Cc3cccc(Cl)c3)ccn2)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NR3C2 P08235 4/20 0.40
NTRK1 P04629 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
GPR52 Q9Y2T5 2/20 0.37
ANO1 Q5XXA6 1/20 0.37
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 1/20 0.36
GRM5 P41594 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL21394773 0.87 RAB9A (0.44) RAB9ALMNANPC1KMT2AMAPT
SCHEMBL29354631 0.87 RAB9A (0.44) RAB9ALMNANPC1KMT2AMAPT
SCHEMBL21394444 0.85 RAB9A (0.46) RAB9ALMNANPC1CYP1A2KMT2A
SCHEMBL29356245 0.85 RAB9A (0.46) RAB9ALMNANPC1CYP1A2KMT2A
SCHEMBL29355492 0.85 RAB9A (0.42) RAB9ALMNANPC1RXFP1MAPT
SCHEMBL21394818 0.85 RAB9A (0.42) RAB9ALMNANPC1RXFP1MAPT
SCHEMBL21394401 0.85 RAB9A (0.55) RAB9AKMT2AMAPT
SCHEMBL29356951 0.85 RAB9A (0.55) RAB9AKMT2AMAPT
SCHEMBL22479453 0.85 RAB9A (0.51) RAB9ALMNAGPR52ANO1KMT2A
SCHEMBL21394447 0.85 RAB9A (0.44) RAB9ANTRK1LMNANPC1CYP1A2

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