SCHEMBL30006128

SCHEMBL30006128

CCc1ccc(F)cc1NC(=O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 2/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX12 P18054 1/20 0.42
CETP P11597 1/20 0.41
RIPK1 Q13546 3/20 0.40
NPY2R P49146 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ACKR3 P25106 1/20 0.39
ABL1 P00519 1/20 0.38

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
SCHEMBL21624286 1.00 MAPT (0.51) MAPTSMN1; SMN2PKMMEN1KMT2A
SCHEMBL14254883 0.81 HTT (0.55) MAPTSMN1; SMN2PKMMEN1KMT2A
SCHEMBL21624307 0.80 MAPT (0.51) MAPTSMN1; SMN2PKMMEN1KMT2A
SCHEMBL1282557 0.79 PDK1 (0.45) MAPTMEN1KMT2AHTTL3MBTL1
SCHEMBL14254877 0.78 HTT (0.60) MAPTSMN1; SMN2PKMHTTLMNA
SCHEMBL2212472 0.76 KDM4E (0.42) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3774635 0.76 CETP (0.59) MAPTSMN1; SMN2PKMMEN1KMT2A
SCHEMBL2946590 0.75 MEN1 (0.46) MAPTSMN1; SMN2PKMMEN1KMT2A
SCHEMBL13264093 0.74 L3MBTL1 (0.43) MAPTPKMHTTL3MBTL1LMNA
SCHEMBL14254888 0.74 CYP1A2 (0.43) MAPTSMN1; SMN2HTTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112771046-B Other substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 CN disclosed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 EP disclosed