SCHEMBL25629312

SCHEMBL25629312

CCCc1cc(CN2CCC(CC)(CC)CC2)ccc1CC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RORC P51449 6/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 3/20 0.36
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL20195827 0.81 LMNA (0.49) ALDH1A1KMT2APOLBKDM4ELMNA
SCHEMBL14615359 0.74 HRH3 (0.50) ALDH1A1MEN1KMT2AKDM4EHRH3
SCHEMBL19832548 0.69 SIGMAR1 (0.61) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL10823156 0.67 BACE1 (0.38) PPARGLMNA
SCHEMBL21540222 0.66 PRMT6 (0.50) ALDH1A1POLBKDM4EHRH3SMN1; SMN2
SCHEMBL9734907 0.66 CNR1 (0.48) L3MBTL1
SCHEMBL18052718 0.65 CHKA (0.57) ALDH1A1KDM4ELMNA
SCHEMBL24250764 0.65 KDM4E (0.57) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL11791277 0.64 TRPA1 (0.41) ALDH1A1L3MBTL1PPARGSMN1; SMN2LMNA
SCHEMBL21400966 0.64 HRH3 (0.50) ALDH1A1L3MBTL1MEN1KMT2APOLB

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-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
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