SCHEMBL22794070

SCHEMBL22794070

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ CXCR4 P61073 6/20 0.34
▸ NCF1 P14598 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL22790760 0.91 L3MBTL1 (0.35) KDM4ETDP1THRBSMN1; SMN2ALDH1A1
SCHEMBL24514674 0.90 NCF1 (0.45) KDM4ETDP1THRBCXCR4NCF1
SCHEMBL24513990 0.89 KDM4E (0.41) KDM4ETDP1THRBSMN1; SMN2ALDH1A1
SCHEMBL25110212 0.83 KDM4E (0.42) KDM4ETDP1THRBSMN1; SMN2ALDH1A1
SCHEMBL25481297 0.80 NCF1 (0.43) KDM4ETDP1THRBALDH1A1CXCR4
SCHEMBL24513989 0.80 KDM4E (0.41) KDM4ETDP1THRBSMN1; SMN2ALDH1A1
SCHEMBL25111086 0.79 NCF1 (0.42) KDM4ETDP1THRBSMN1; SMN2ALDH1A1
SCHEMBL25108924 0.79 KDM4E (0.40) KDM4ETDP1THRBSMN1; SMN2ALDH1A1
SCHEMBL25481136 0.79 L3MBTL1 (0.34) KDM4ETDP1THRBSMN1; SMN2ALDH1A1
SCHEMBL25109776 0.78 HRH3 (0.46) KDM4ETDP1THRBSMN1; SMN2ALDH1A1

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
WO-2022125804-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 — — WO disclosed
WO-2020251971-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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