SCHEMBL8743687

SCHEMBL8743687

N#C/C(=C\c1cccc(O)c1O)C(N)=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.53
▸ ALDH1A1 P00352 9/20 0.53
▸ KDM4E B2RXH2 8/20 0.53
▸ TDP1 Q9NUW8 7/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ HPGD P15428 5/20 0.53
▸ RECQL P46063 4/20 0.53
▸ GAA P10253 4/20 0.53
▸ BLM P54132 3/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ APEX1 P27695 2/20 0.53
▸ PMP22 Q01453 2/20 0.53
▸ RGS12 O14924 2/20 0.53
▸ ERBB2 P04626 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53

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
SCHEMBL8743681 0.84 EGFR (0.59) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL19895348 0.84 EGFR (0.59) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL21457670 0.79 EGFR (0.58) ALDH1A1KDM4EKMT2AHPGDCYP3A4
SCHEMBL21457666 0.79 EGFR (0.58) ALDH1A1KDM4EKMT2AHPGDCYP3A4
SCHEMBL8830518 0.76 MAPT (0.55) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830519 0.76 MAPT (0.55) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830515 0.76 ALDH1A1 (0.51) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830513 0.76 ALDH1A1 (0.51) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL10517794 0.75 TRPA1 (0.53) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL8830690 0.75 MAPT (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750498-A1 USE OF ANTAGONISTS OF EGF OR TGF-ALPHA FOR THE TREATMENT AND PROPHYLAXIS OF ACNE UNILEVER PLC (GB) 1997-01-02 — — EP disclosed
WO-1995024896-A2 USE OF ANTAGONISTS OF EGF OR TGF-ALPHA FOR THE TREATMENT AND PROPHYLAXIS OF ACNE UNILEVER PLC (GB) 1995-09-21 — — WO disclosed
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