SCHEMBL492980

SCHEMBL492980

CN(C)C(CCc1ccccc1)C1CCC(NC(=O)CNC(=O)c2nc(-c3ccc(C(C)(C)C)cc3)no2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
MITF O75030 1/20 0.38
KLF5 Q13887 1/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
S1PR4 O95977 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
SCHEMBL493591 0.93 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MAPTLMNAPKM
SCHEMBL493677 0.87 KMT2A (0.49) KDM4EKMT2AMAPTHPGD
SCHEMBL493674 0.87 TDP1 (0.38) KDM4EKMT2ATDP1SMN1; SMN2HTT
SCHEMBL493647 0.86 KDM4E (0.48) KDM4EGAAKMT2ASMN1; SMN2HTT
SCHEMBL493354 0.86 CCR2 (0.42) KDM4EKMT2ATDP1SMN1; SMN2HTT
SCHEMBL493800 0.85 GHSR (0.38) KDM4EKMT2ATDP1SMN1; SMN2HTT
SCHEMBL493060 0.85 FAAH (0.44) SMN1; SMN2HTTTSHRNPC1
SCHEMBL493502 0.84 KMT2A (0.40) GAAKMT2ASMN1; SMN2TSHRMAPT
SCHEMBL493221 0.84 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2HTTTSHRMAPT
SCHEMBL493049 0.82 KMT2A (0.38) KDM4EKMT2ASMN1; SMN2MAPTNPC1

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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed