SCHEMBL21394891

SCHEMBL21394891

COCc1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
F10 P00742 11/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
GCK P35557 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SCD O00767 1/20 0.44
KLKB1 P03952 2/20 0.43

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
SCHEMBL29356665 1.00 ALDH1A1 (0.47) ALDH1A1F10MEN1KMT2ARAB9A
SCHEMBL21394390 0.88 ALDH1A1 (0.49) ALDH1A1F10MEN1KMT2ARAB9A
SCHEMBL29356935 0.88 ALDH1A1 (0.48) ALDH1A1F10MEN1KMT2ARAB9A
SCHEMBL21394466 0.88 ALDH1A1 (0.48) ALDH1A1F10MEN1KMT2ARAB9A
SCHEMBL21394880 0.87 F10 (0.53) ALDH1A1F10MEN1KMT2ARAB9A
SCHEMBL29357095 0.87 F10 (0.53) ALDH1A1F10MEN1KMT2ARAB9A
SCHEMBL21395015 0.84 ALDH1A1 (0.51) ALDH1A1F10MEN1KMT2ARAB9A
SCHEMBL21395090 0.84 ALDH1A1 (0.51) ALDH1A1F10MEN1KMT2ARAB9A
SCHEMBL21384159 0.83 ALDH1A1 (0.47) ALDH1A1F10MEN1KMT2ARAB9A
SCHEMBL22479547 0.83 ALDH1A1 (0.50) ALDH1A1F10MEN1KMT2ASMN1; SMN2

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