SCHEMBL7708641

SCHEMBL7708641

COC(=O)CC1CN(c2ccccc2)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 6/20 0.41
HTT P42858 2/20 0.41
PAX8 Q06710 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
WDR5 P61964 1/20 0.39

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
SCHEMBL6860836 0.88 FFAR4 (0.42) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL7711823 0.84 SIRT1 (0.52) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL7713876 0.84 POLB (0.43) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL7711555 0.84 TSHR (0.39)
SCHEMBL6860561 0.83 CASR (0.47) POLBGAA
SCHEMBL7708679 0.83 CASR (0.47) POLBGAA
SCHEMBL16823624 0.73 USP2 (0.41) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7711231 0.73 USP2 (0.41) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL12862879 0.72 HTT (0.45) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7705256 0.72 GRM2 (0.39) KMT2AMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed