SCHEMBL7923044

SCHEMBL7923044

COc1cc(C(C)C)ccc(CN2CCN(c3cccc(Cl)c3)CC2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
USP2 O75604 1/20 0.57
THRB P10828 1/20 0.57
MAPT P10636 3/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.48
KCNH2 Q12809 1/20 0.48
HTR7 P34969 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7923519 0.89 LMNA (0.61) LMNAMAPTTSHRKDM4EALDH1A1
SCHEMBL7923296 0.89 LMNA (0.47) LMNAUSP2THRBMAPTTSHR
SCHEMBL7923527 0.88 TP53 (0.47) LMNAUSP2THRBMAPTTSHR
SCHEMBL7921093 0.86 LMNA (0.48) LMNAUSP2THRBMAPTTSHR
SCHEMBL7921975 0.86 ALDH1A1 (0.60) LMNAMAPTTSHRALDH1A1KCNH2
SCHEMBL7927315 0.84 KDM4E (0.58) LMNAMAPTTSHRKDM4EALDH1A1
SCHEMBL7924133 0.84 LMNA (0.48) LMNAMAPTTSHRKDM4EALDH1A1
SCHEMBL7927267 0.84 MAPT (0.49) LMNAUSP2MAPTTSHRKDM4E
SCHEMBL7924162 0.83 KDM4E (0.62) LMNAMAPTTSHRKDM4EALDH1A1
SCHEMBL7921522 0.82 KMT2A (0.56) LMNAMAPTTSHRKDM4EALDH1A1

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-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed