SCHEMBL7052691

SCHEMBL7052691

CCOC(=O)Cc1ccc(C(=O)OCC)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 3/20 0.58
PKM P14618 2/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
KDM4E B2RXH2 2/20 0.57
POLB P06746 1/20 0.57
PTGER4 P35408 1/20 0.55
MEN1 O00255 2/20 0.52
PDGFRB P09619 1/20 0.49
FGFR1 P11362 1/20 0.49
PDGFRA P16234 1/20 0.49
FLT1 P17948 1/20 0.49
FGFR3 P22607 1/20 0.49
KDR P35968 1/20 0.49
PDK1 Q15118 1/20 0.49

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
SCHEMBL6336196 0.92 LMNA (0.61) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL13986241 0.89 LMNA (0.51) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL1304734 0.89 KMT2A (0.60) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL3841850 0.89 KMT2A (0.63) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL5913763 0.88 LMNA (0.62) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL1978638 0.88 KMT2A (0.58) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL4262486 0.85 KMT2A (0.61) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL3127542 0.85 KMT2A (0.61) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL9667169 0.85 VCAM1 (0.53) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL13400411 0.85 TSHR (0.49) LMNAKMT2AALDH1A1MAPTRAB9A

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-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed