SCHEMBL24536032

SCHEMBL24536032

CC(C)(C)c1ccc(C(=O)CCc2ccc(C#N)nn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.45
▸ RECQL P46063 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ EPHX2 P34913 4/20 0.40
▸ NR1H4 Q96RI1 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MPI P34949 1/20 0.36
▸ HDAC1 Q13547 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
SCHEMBL24536033 0.80 PANK3 (0.33) MEN1KMT2ANPC1RAB9A
SCHEMBL7079689 0.72 RAB9A (0.66) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21424097 0.71 MAPT (0.48) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL10070187 0.71 NR1H4 (0.59) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL22241270 0.68 ALDH1A1 (0.81) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL393300 0.68 RAB9A (0.56) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL24536034 0.68 PANK3 (0.34) HDAC1
SCHEMBL11353543 0.67 HSD17B3 (0.62) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL10070209 0.67 RAB9A (0.64) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL10070185 0.67 ALDH1A1 (0.72) MEN1KMT2AALDH1A1RECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022133034-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2022-06-23 — — WO disclosed
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