SCHEMBL7923296

SCHEMBL7923296

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
TP53 P04637 1/20 0.46
ALOX15 P16050 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TACR1 P25103 4/20 0.45
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.43
USP2 O75604 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMO Q99835 1/20 0.43

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
SCHEMBL7921905 0.90 LMNA (0.46) LMNAALDH1A1TSHRMAPTKDM4E
SCHEMBL7923044 0.89 LMNA (0.57) LMNAALDH1A1TSHRMAPTKDM4E
SCHEMBL7921616 0.88 LMNA (0.44) LMNAALDH1A1TSHRMAPTKDM4E
SCHEMBL7923519 0.88 LMNA (0.61) LMNAALDH1A1TSHRMAPTKDM4E
SCHEMBL7927261 0.87 LMNA (0.48) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7921923 0.86 LMNA (0.58) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7927267 0.83 MAPT (0.49) LMNAALDH1A1TSHRMAPTKDM4E
SCHEMBL7924133 0.83 LMNA (0.48) LMNAALDH1A1TSHRMAPTKDM4E
SCHEMBL7924162 0.82 KDM4E (0.62) LMNAALDH1A1TSHRMAPTKDM4E
SCHEMBL6139516 0.80 KDM4E (0.60) LMNAALDH1A1MAPTKDM4ESMN1; SMN2

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