SCHEMBL24671120

SCHEMBL24671120

CCCN1C(=O)c2ccc(C(C)C)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CHRM2 P08172 1/20 0.39

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
SCHEMBL19762359 0.90 KDM4E (0.46) MEN1KMT2ANR1H3ALDH1A1KDM4E
SCHEMBL10022401 0.86 POLB (0.54) MEN1KMT2ANR1H3ALDH1A1KDM4E
SCHEMBL10022390 0.85 KDM4E (0.63) MEN1KMT2ANR1H3ALDH1A1KDM4E
SCHEMBL2835024 0.80 NR1H3 (0.58) MEN1KMT2ANR1H3ALDH1A1KDM4E
SCHEMBL18954622 0.80 PARK7 (0.48) MEN1KMT2ANR1H3ALDH1A1LMNA
SCHEMBL25144719 0.79 MAPT (0.46) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL19762356 0.79 RORA (0.45) MEN1KMT2ANR1H3ALDH1A1KDM4E
SCHEMBL25144724 0.79 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL25144720 0.78 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL15046557 0.77 CHRM2 (0.60) ALDH1A1KDM4ENPC1RAB9AHPGD

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-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
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