SCHEMBL6771959

SCHEMBL6771959

NC(=O)N1CCC(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD11B1 P28845 1/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL1769204 0.84 KMT2A (0.59) KMT2ACYP1A2CYP2D6ALDH1A1MAPT
SCHEMBL27504484 0.82 KMT2A (0.66) KMT2ACYP1A2CYP2D6ALDH1A1MAPT
SCHEMBL27474677 0.82 KMT2A (0.71) KMT2ACYP1A2CYP2D6ALDH1A1MAPT
SCHEMBL11602621 0.80 KMT2A (0.64) KMT2ACYP1A2CYP2D6ALDH1A1MAPT
SCHEMBL8483965 0.80 MAPT (0.65) KMT2ACYP1A2CYP2D6MAPTMGLL
SCHEMBL7819807 0.78 SMN1; SMN2 (0.60) KMT2ACYP1A2CYP2D6HTTSMN1; SMN2
SCHEMBL28621572 0.78 KMT2A (0.51) KMT2ACYP1A2CYP2D6ALDH1A1MAPT
SCHEMBL27750481 0.78 KMT2A (0.51) KMT2ACYP1A2CYP2D6ALDH1A1MAPT
SCHEMBL7392742 0.77 KMT2A (0.72) KMT2ACYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL9176904 0.77 MAPT (0.55) KMT2AALDH1A1MAPTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1326850-C Tricyclic farnesyl protein transferase inhibitors SCHERING CORP (US) 2007-07-18 CN disclosed
US-6740661-B2 TRICYCLIC IMINE CONTAINING COMPOUNDS HAVING IMIDAZOLE SUBSTITUENT; ANTITUMOR AGENTS SCHERING CORPORATION 2004-05-25 US disclosed
US-6372747-B1 ENZYME INHIBITORS AND ANTICARCINOGENIC AGENTS SCHERING CORPORATION 2002-04-16 US disclosed
CN-1334811-A Tricyclic farnesyl protein transferase inhibitors SCHERING CORP (US) 2002-02-06 CN disclosed