SCHEMBL8830541

SCHEMBL8830541

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
KDM4E B2RXH2 7/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 2/20 0.48
EGFR P00533 4/20 0.47
LCK P06239 2/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
BLM P54132 2/20 0.46
GAA P10253 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
NEK2 P51955 1/20 0.43
PLK1 P53350 1/20 0.43
CYP3A4 P08684 1/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 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
SCHEMBL8830539 1.00 MCL1 (0.49) MCL1KDM4EKMT2AMEN1CYP1A2
SCHEMBL8830538 0.88 KDM4E (0.47) KDM4EKMT2AMEN1EGFRMAPT
SCHEMBL8830543 0.88 KDM4E (0.47) KDM4EKMT2AMEN1EGFRMAPT
SCHEMBL8830424 0.87 ALDH1A1 (0.48) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL8830429 0.87 ALDH1A1 (0.48) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL8830420 0.82 ERN1 (0.55) MCL1KDM4EKMT2AMEN1CYP1A2
SCHEMBL8830422 0.82 ERN1 (0.55) MCL1KDM4EKMT2AMEN1CYP1A2
SCHEMBL7471065 0.81 MCL1 (0.51) MCL1KDM4EKMT2AMEN1CYP1A2
SCHEMBL1388456 0.81 MCL1 (0.51) MCL1KDM4EKMT2AMEN1CYP1A2
SCHEMBL1388454 0.81 MCL1 (0.51) MCL1KDM4EKMT2AMEN1CYP1A2

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 7 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
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