SCHEMBL8830474

SCHEMBL8830474

N#C/C(=C/c1c(O)cnc2ccccc12)C(N)=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.51
MAPT P10636 12/20 0.45
ALDH1A1 P00352 10/20 0.45
KDM4E B2RXH2 8/20 0.45
TDP1 Q9NUW8 7/20 0.45
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
HPGD P15428 5/20 0.45
RECQL P46063 4/20 0.45
GAA P10253 4/20 0.45
BLM P54132 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPK1 P28482 3/20 0.45
POLB P06746 2/20 0.45
APEX1 P27695 2/20 0.45
PMP22 Q01453 2/20 0.45
RGS12 O14924 2/20 0.45
ERBB2 P04626 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 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
SCHEMBL8830481 1.00 ERN1 (0.51) ERN1MAPTALDH1A1KDM4ETDP1
SCHEMBL8830422 0.87 ERN1 (0.55) ERN1MAPTALDH1A1KDM4ETDP1
SCHEMBL8830420 0.87 ERN1 (0.55) ERN1MAPTALDH1A1KDM4ETDP1
SCHEMBL8830443 0.83 ERN1 (0.56) ERN1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL13574086 0.83 ERN1 (0.56) ERN1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL8830442 0.83 ERN1 (0.56) ERN1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL8830429 0.82 ALDH1A1 (0.48) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830424 0.82 ALDH1A1 (0.48) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8177363 0.77 MAPT (0.51) ERN1MAPTALDH1A1KDM4ETDP1
SCHEMBL8177360 0.77 MAPT (0.51) ERN1MAPTALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470221-A1 NEW ARYL- AND HETEROARYLETHENYLENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-02-12 EP claimed
WO-1991013055-A2 NEW ARYL- AND HETEROARYLETHENYLENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1991-09-05 WO claimed
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
EP-0470221-A1 NEW ARYL- AND HETEROARYLETHENYLENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-02-12 EP 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