SCHEMBL8830693

SCHEMBL8830693

N#CC(=Cc1ccc(O)c2ccccc12)C(N)=S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.54
▸ ALDH1A1 P00352 10/20 0.54
▸ KDM4E B2RXH2 7/20 0.54
▸ TDP1 Q9NUW8 7/20 0.54
▸ KMT2A Q03164 7/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ HPGD P15428 5/20 0.54
▸ RECQL P46063 4/20 0.54
▸ BLM P54132 3/20 0.54
▸ GAA P10253 3/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ POLB P06746 2/20 0.54
▸ EGFR P00533 2/20 0.54
▸ APEX1 P27695 2/20 0.54
▸ PMP22 Q01453 2/20 0.54
▸ RGS12 O14924 2/20 0.54
▸ ERBB2 P04626 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54

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
SCHEMBL8830690 1.00 MAPT (0.54) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830524 0.85 EGFR (0.60) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830521 0.85 EGFR (0.60) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830395 0.81 KDM4E (0.52) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830392 0.81 KDM4E (0.52) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830709 0.80 EGFR (0.59) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830713 0.80 EGFR (0.59) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830513 0.79 ALDH1A1 (0.51) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830515 0.79 ALDH1A1 (0.51) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830519 0.77 MAPT (0.55) MAPTALDH1A1KDM4ETDP1KMT2A

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 11 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 claimed
EP-0470221-B1 NEW ARYLETHENYLENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1995-12-13 — — EP claimed
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-0470221-B1 NEW ARYLETHENYLENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1995-12-13 — — EP 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
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