SCHEMBL21394762

SCHEMBL21394762

COc1cc(Cl)cc(Cc2ccc(NC(=O)c3ccc(=O)n(C)c3)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DEGS1 O15121 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP8 Q96LD8 1/20 0.41

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
SCHEMBL21394831 0.89 MEN1 (0.43) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL29353773 0.89 MEN1 (0.43) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL21394506 0.86 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53CYP1A2
SCHEMBL21394636 0.85 F10 (0.43) RAB9ANPC1SMN1; SMN2TP53CYP1A2
SCHEMBL29356860 0.85 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL21394825 0.85 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL21394648 0.84 SIRT2 (0.43) RAB9ANPC1SMN1; SMN2TP53CYP3A4
SCHEMBL21394631 0.84 L3MBTL1 (0.44) RAB9ANPC1SMN1; SMN2TP53CYP1A2
SCHEMBL21395063 0.83 DEGS1 (0.42) RAB9ANPC1SMN1; SMN2TP53CYP1A2
SCHEMBL29356761 0.83 DEGS1 (0.42) RAB9ANPC1SMN1; SMN2TP53CYP1A2

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