SCHEMBL15948103

SCHEMBL15948103

CC(=O)N1Cc2ccccc2-c2nnn(I)c2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 12/20 0.49
NOTUM Q6P988 7/20 0.47
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL25015342 0.95 NOTUM (0.47) HSD17B3NOTUMKDM4EHTTSMN1; SMN2
SCHEMBL14887434 0.86 HSD17B3 (0.50) HSD17B3NOTUMKDM4EHTTSMN1; SMN2
SCHEMBL22512575 0.84 HSD17B3 (0.48) HSD17B3NOTUMKDM4E
SCHEMBL25963258 0.83 NOTUM (0.35) HSD17B3NOTUMKDM4EHTTSMN1; SMN2
SCHEMBL21602832 0.83 HTT (0.49) HSD17B3NOTUMKDM4EHTTSMN1; SMN2
SCHEMBL15606230 0.83 HSD17B3 (0.47) HSD17B3NOTUMKDM4EHTTSMN1; SMN2
SCHEMBL20215065 0.83 HSD17B3 (0.47) HSD17B3NOTUMKDM4EHTTSMN1; SMN2
SCHEMBL17469577 0.82 HSD17B3 (0.46) HSD17B3NOTUMKDM4EHTTSMN1; SMN2
SCHEMBL24506189 0.82 DRD4 (0.33) KDM4ESMN1; SMN2
SCHEMBL24923619 0.81 KDM4E (0.32) KDM4ESMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024146920-A1 DRUG CONJUGATES FOR THE TREATMENT OF OCULAR DISORDERS ASCENDIS PHARMA OPHTHALMOLOGY DIVISION A/S (DK) 2024-07-11 WO disclosed
WO-2024146902-A1 METHODS OF PRODUCING HYDROGEL MICROSPHERES ASCENDIS PHARMA A/S (DK) 2024-07-11 WO disclosed
WO-2023014988-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR PROTEINS RAYZEBIO, INC. (US) 2023-02-09 WO disclosed
WO-2020064844-A1 TREATMENT OF INFECTIONS ASCENDIS PHARMA A/S (DK) 2020-04-02 WO disclosed
WO-2014124316-A2 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES IRM LLC (BM) 2014-08-14 WO disclosed