SCHEMBL8830429

SCHEMBL8830429

N#CC(=Cc1cnc2ccccc2c1O)C(N)=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 8/20 0.48
TDP1 Q9NUW8 7/20 0.48
LMNA P02545 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 11/20 0.42
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
HPGD P15428 5/20 0.42
RECQL P46063 4/20 0.42
GAA P10253 4/20 0.42
BLM P54132 3/20 0.42
ERBB2 P04626 3/20 0.42
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 2/20 0.42
PMP22 Q01453 2/20 0.42
RGS12 O14924 2/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL8830424 1.00 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1LMNAL3MBTL1
SCHEMBL8830541 0.87 MCL1 (0.49) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL8830539 0.87 MCL1 (0.49) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL8830538 0.83 KDM4E (0.47) ALDH1A1KDM4ELMNAL3MBTL1MAPT
SCHEMBL8830543 0.83 KDM4E (0.47) ALDH1A1KDM4ELMNAL3MBTL1MAPT
SCHEMBL8830474 0.82 ERN1 (0.51) ALDH1A1KDM4ETDP1LMNAL3MBTL1
SCHEMBL8830481 0.82 ERN1 (0.51) ALDH1A1KDM4ETDP1LMNAL3MBTL1
SCHEMBL8830515 0.80 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1LMNAL3MBTL1
SCHEMBL8830513 0.80 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1LMNAL3MBTL1
SCHEMBL8830455 0.76 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1LMNAL3MBTL1

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