SCHEMBL24513990

SCHEMBL24513990

CC(C)CCCCOCCCCNCc1ccc(N2CCN(C(C)C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ THRB P10828 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ CXCR4 P61073 6/20 0.34
▸ NCF1 P14598 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
SCHEMBL25110212 0.94 KDM4E (0.42) KDM4EALDH1A1MAPTPKMTHRB
SCHEMBL24513989 0.91 KDM4E (0.41) KDM4EALDH1A1MAPTPKMTHRB
SCHEMBL25109776 0.90 HRH3 (0.46) KDM4EALDH1A1MAPTPKMTHRB
SCHEMBL24514674 0.90 NCF1 (0.45) KDM4ETHRBTDP1CXCR4NCF1
SCHEMBL22794070 0.89 KDM4E (0.37) KDM4EALDH1A1MAPTTHRBTDP1
SCHEMBL22790759 0.85 KDM4E (0.42) KDM4EALDH1A1MAPTPKMTHRB
SCHEMBL22793930 0.84 KDM4E (0.43) KDM4EALDH1A1MAPTPKMTHRB
SCHEMBL22793929 0.83 KDM4E (0.42) KDM4EALDH1A1MAPTPKMTHRB
SCHEMBL25111268 0.80 HRH4 (0.43) KDM4ETHRBTDP1HRH3SMN1; SMN2
SCHEMBL25108854 0.80 KDM4E (0.39) KDM4EALDH1A1MAPTPKMTDP1

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-2022125804-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 — — WO disclosed
Send feedback