SCHEMBL1743665

SCHEMBL1743665

O=C(O)N1CCc2c(Br)cccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.50
UCHL1 P09936 1/20 0.47
PIK3CD O00329 3/20 0.45
CYP3A4 P08684 3/20 0.45
PIK3CA P42336 3/20 0.45
PIK3CB P42338 3/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
PIK3CG P48736 2/20 0.43
AKT1 P31749 2/20 0.43
AKR1C3 P42330 1/20 0.42
HTR2C P28335 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 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
SCHEMBL21598459 0.90 MEN1 (0.46) NOTUMUCHL1ALDH1A1HPGDAKR1C3
SCHEMBL4532424 0.84 NOTUM (0.71) NOTUMUCHL1
SCHEMBL29229926 0.81 LMNA (0.43) NOTUMALDH1A1HPGDTSHRLMNA
SCHEMBL30659423 0.81 NOTUM (0.73) NOTUMPIK3CDCYP3A4PIK3CAPIK3CB
SCHEMBL2375244 0.81 NOTUM (0.73) NOTUMPIK3CDCYP3A4PIK3CAPIK3CB
SCHEMBL23042904 0.81 NOTUM (0.73) NOTUMPIK3CDCYP3A4PIK3CAPIK3CB
SCHEMBL19436139 0.80 NOTUM (0.49) NOTUMUCHL1PIK3CDCYP3A4PIK3CA
SCHEMBL31253137 0.78 NOTUM (0.43) NOTUMUCHL1ALDH1A1HPGDHTR2C
SCHEMBL23042881 0.78 NOTUM (0.42) NOTUMALDH1A1HPGDAKT1HTR2C
SCHEMBL17498190 0.78 AKT1 (0.47) NOTUMALDH1A1HPGDAKT1TSHR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133499-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2024-06-27 WO disclosed
WO-2024085699-A1 COMPOUND FOR SHP2 PROTEIN DEGRADATION AND MEDICAL USES THEREOF 주식회사 유빅스테라퓨틱스 2024-04-25 WO disclosed
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed
WO-2021149767-A1 HETEROCYCLIC DERIVATIVE 大日本住友製薬株式会社 2021-07-29 WO disclosed
WO-2021141041-A1 THERAPEUTIC AGENT FOR TAUOPATHIES 大日本住友製薬株式会社 2021-07-15 WO disclosed
WO-2021039961-A1 RING-FUSED PYRAZOLE DERIVATIVE 大日本住友製薬株式会社 2021-03-04 WO disclosed
WO-2020017587-A1 PYRIDAZINONE DERIVATIVE 大日本住友製薬株式会社 2020-01-23 WO disclosed
WO-2016025933-A2 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed
EP-2557923-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS Curis, Inc. (US) 2013-02-20 EP disclosed
EP-2385832-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY Curis, Inc. (US) 2011-11-16 EP disclosed
WO-2011130628-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. (US) 2011-10-20 WO disclosed
US-8040979-B2 Generating a phase value for a complex signal INFINEON TECHNOLOGIES AG (DE) 2011-10-18 US disclosed
WO-2010080996-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. (US) 2010-07-15 WO disclosed