SCHEMBL22794555

SCHEMBL22794555

CCCCCCCN(C)Cc1ccc(N2CCN(C(C)C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.56
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ S1PR1 P21453 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ KDM5A P29375 2/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ KDM5C P41229 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL24513988 0.99 HRH3 (0.57) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL22794340 0.95 HRH3 (0.61) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL25110455 0.87 HRH3 (0.47) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL25109828 0.86 HRH3 (0.48) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL25110451 0.85 CHKA (0.47) HRH3KDM4EALDH1A1MAPTS1PR1
SCHEMBL25110506 0.85 HRH3 (0.44) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL25108883 0.85 HRH3 (0.44) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL25109774 0.84 HRH3 (0.56) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL25110045 0.84 KDM4E (0.44) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL22794084 0.84 KDM4E (0.44) HRH3KDM4EALDH1A1MAPTPKM

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