SCHEMBL21394827

SCHEMBL21394827

Cn1cc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CSF1R P07333 1/20 0.46
F10 P00742 3/20 0.44
EP300 Q09472 3/20 0.44
FSCN1 Q16658 1/20 0.44
DHX9 Q08211 1/20 0.44
GSK3B P49841 4/20 0.44
DYRK1A Q13627 4/20 0.44
WNT1 P04628 2/20 0.44

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
SCHEMBL29442864 1.00 ALDH1A1 (0.50) ALDH1A1MAPK1MEN1KMT2ACSF1R
SCHEMBL21395080 0.88 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2ACSF1REP300
SCHEMBL21395017 0.86 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AF10
SCHEMBL21394681 0.86 SMN1; SMN2 (0.48) ALDH1A1CSF1RF10EP300GSK3B
SCHEMBL29356860 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AF10
SCHEMBL21394825 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AF10
SCHEMBL29357020 0.82 NPC1 (0.49) ALDH1A1MEN1KMT2AF10GSK3B
SCHEMBL21394867 0.82 NPC1 (0.49) ALDH1A1MEN1KMT2AF10GSK3B
SCHEMBL21394981 0.82 SMN1; SMN2 (0.53) ALDH1A1CSF1REP300DHX9GSK3B
SCHEMBL21394476 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AF10

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