SCHEMBL29906112

SCHEMBL29906112

Cc1ccc2[nH]cc(-c3csc(N)n3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.80
KMT2A Q03164 8/20 0.80
ATP4A P20648 10/20 0.66
ATP4B P51164 10/20 0.66
MAPT P10636 6/20 0.65
KDM4E B2RXH2 4/20 0.65
RAB9A P51151 3/20 0.65
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
THRB P10828 2/20 0.65
ALOX15 P16050 1/20 0.65
PPARG P37231 1/20 0.65
NCOA2 Q15596 1/20 0.65
HSD17B10 Q99714 1/20 0.65
NPC1 O15118 2/20 0.53
ATM Q13315 1/20 0.53
GAA P10253 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46

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
SCHEMBL27152396 1.00 MEN1 (0.80) MEN1KMT2AATP4AATP4BMAPT
SCHEMBL1800635 0.79 MEN1 (1.00) MEN1KMT2AATP4AATP4BMAPT
SCHEMBL27136074 0.78 MEN1 (0.58) MEN1KMT2AATP4AATP4BMAPT
SCHEMBL29906057 0.78 MEN1 (0.58) MEN1KMT2AATP4AATP4BMAPT
SCHEMBL23610340 0.74 MEN1 (0.55) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL3130593 0.73 MAPT (0.61) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL5331147 0.73 MEN1 (0.57) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL31512490 0.73 MEN1 (0.57) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL30693723 0.73 ATP4A (0.49) MEN1KMT2AATP4AATP4BMAPT
SCHEMBL1689568 0.71 MPL (0.63) MEN1KMT2AMAPTKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326262-A1 COMPOUNDS FOR USE IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Fundació Privada Institut d'Investigació Oncològica de Vall Hebron (ES) 2024-02-28 EP disclosed
CN-117320715-A Compounds for the treatment of hyperproliferative diseases 瓦尔希伯伦私人肿瘤研究基金会 2023-12-29 CN disclosed
WO-2022223704-A1 COMPOUNDS FOR USE IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS FUNDACIÓ PRIVADA INSTITUT D'INVESTIGACIÓ ONCOLÒGICA DE VALL HEBRON (ES) 2022-10-27 WO disclosed