SCHEMBL11187366

SCHEMBL11187366

CCc1ccccc1N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
USP2 O75604 1/20 0.61
THRB P10828 1/20 0.61
KDM4E B2RXH2 8/20 0.60
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54

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
Hydrochloric Acid SCHEMBL11182928 0.99 LMNA (0.60) LMNAUSP2THRBKDM4EALDH1A1
SCHEMBL6908666 0.88 MAPK1 (0.69) LMNAUSP2THRBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11183243 0.87 MAPK1 (0.67) LMNAUSP2THRBKDM4EALDH1A1
SCHEMBL6904661 0.86 KDM4E (0.65) LMNAUSP2THRBKDM4EALDH1A1
SCHEMBL6904904 0.86 USP2 (0.66) LMNAUSP2THRBKDM4EALDH1A1
SCHEMBL11191164 0.85 ALDH1A1 (0.78) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL11189440 0.85 USP2 (0.65) LMNAUSP2THRBKDM4EALDH1A1
SCHEMBL11191741 0.85 KDM4E (0.80) LMNAUSP2THRBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11188368 0.84 ALDH1A1 (0.77) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL11178679 0.84 KDM4E (0.78) LMNAUSP2THRBKDM4EALDH1A1

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-4370330-A Method of enhancing circulation with piperazines MERZ & COMPANY (DE) 1983-01-25 US claimed