SCHEMBL6618201

SCHEMBL6618201

CC(N)Nc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 3/20 0.55
MPO P05164 1/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
KMT2A Q03164 5/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GRIK1 P39086 1/20 0.46
MEN1 O00255 3/20 0.45
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.45
MYC P01106 1/20 0.43
MAX P61244 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
SCHEMBL3694733 0.80 MAPT (0.77) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL9681603 0.80 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL1663739 0.80 MAPT (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL9507931 0.78 GRIK1 (0.55) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL5156571 0.78 SMN1; SMN2 (0.67) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL9507967 0.77 MAPT (0.51) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL9206969 0.77 MAPT (0.57) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL17434401 0.77 MAPT (0.70) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL30309524 0.77 MAPT (0.57) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL10713418 0.76 MAPT (0.55) ALDH1A1CYP3A4ALOX15TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed