SCHEMBL8830672

SCHEMBL8830672

O=C1NN(c2ccccc2)C(=O)/C1=C/c1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
GAA P10253 4/20 0.59
HPGD P15428 3/20 0.59
MAPT P10636 9/20 0.56
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 4/20 0.56
POLB P06746 2/20 0.53
SRC P12931 2/20 0.53
NTRK1 P04629 2/20 0.52
ABL1 P00519 2/20 0.52
DAPK3 O43293 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
CSF1R P07333 1/20 0.52
RET P07949 1/20 0.52
PDGFRB P09619 1/20 0.52

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
SCHEMBL8830680 1.00 KMT2A (0.59) KMT2AMEN1GAAHPGDMAPT
SCHEMBL22924167 0.81 MAPT (0.57) KMT2AMEN1GAAHPGDMAPT
SCHEMBL24251256 0.75 MAPT (0.60) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL1520549 0.73 NTRK1 (0.69) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL19820158 0.72 MAPT (0.57) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL12642190 0.72 KMT2A (0.55) KMT2AMEN1GAAHPGDMAPT
SCHEMBL13573496 0.72 CRHBP (0.60) KMT2AMEN1GAAHPGDMAPT
SCHEMBL5995561 0.72 KMT2A (0.57) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL30665394 0.72 NTRK1 (0.63) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL1519871 0.71 NTRK1 (0.66) KMT2AMEN1HPGDMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627207-A CANCER FARMITALIA CARLO ERBA S R L (IT) 1997-05-06 US disclosed
US-5488057-A ENZYME INHIBITORS AND ANTICARCINOGENIC AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-01-30 US disclosed
EP-0662473-A1 2-Oxindole derivatives as tyrosine kinase inhibitors PHARMACIA S.p.A. (IT) 1995-07-12 EP disclosed
US-5374652-A Substituted naphthylmethylene- or tetrahydronaphthylmethylene-derivatives of 2-oxoindole FARMITALIA CARLO ERBA S R L (IT) 1994-12-20 US disclosed
WO-1991013055-A2 NEW ARYL- AND HETEROARYLETHENYLENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1991-09-05 WO disclosed