SCHEMBL6635342

SCHEMBL6635342

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
PKM P14618 2/20 0.52
POLB P06746 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
MAPT P10636 5/20 0.47
GAA P10253 5/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
AR P10275 1/20 0.44
HTR2A P28223 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL5327852 0.81 ALDH1A1 (0.68) KMT2AALDH1A1MEN1PKMPOLB
SCHEMBL28362604 0.81 POLB (0.59) KMT2AALDH1A1MEN1PKMPOLB
SCHEMBL6634172 0.78 MAPT (0.56) KMT2AALDH1A1MEN1PKMPOLB
SCHEMBL6316599 0.78 CTSV (0.53) KMT2AALDH1A1MEN1PKMPOLB
SCHEMBL27136306 0.77 ALDH1A1 (0.54) KMT2AALDH1A1MEN1PKMPOLB
SCHEMBL28524078 0.77 MEN1 (0.58) KMT2AALDH1A1MEN1PKMPOLB
SCHEMBL28048707 0.76 KMT2A (0.59) KMT2AALDH1A1PKMCTSVCTSL
SCHEMBL6184844 0.76 ALDH1A1 (0.53) KMT2AALDH1A1MEN1PKMPOLB
SCHEMBL8589692 0.76 ALDH1A1 (0.53) KMT2AALDH1A1MEN1PKMPOLB
SCHEMBL10915060 0.75 ALDH1A1 (0.63) KMT2AALDH1A1MEN1PKMPOLB

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
EP-1483268-A2 INDOLYL-UREA DERIVATIVES OF THIENOPYRIDINES USEFUL AS ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2004-12-08 EP disclosed
WO-2003074529-A2 iNDOLYL-UREA DERIVATIVES OF THIENOPYRIDINES USEFUL AS ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2003-09-12 WO disclosed