SCHEMBL18131745

SCHEMBL18131745

Cc1cc(Br)cc([N+](=O)[O-])c1Nc1ncc(I)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP1A2 P05177 5/20 0.35
▸ TDP1 Q9NUW8 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 4/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ GAA P10253 2/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL18131712 0.78 TSHR (0.45) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL30466489 0.78 TSHR (0.45) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL18131697 0.74 FGFR4 (0.40) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL1285214 0.74 CYP1A2 (0.44) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL15412383 0.73 TSHR (0.45) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14858457 0.71 ERN1 (0.45) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL21386604 0.71 FGFR4 (0.37) —
SCHEMBL18299606 0.70 CYP1A2 (0.47) MAPTALDH1A1CYP1A2TDP1CYP3A4
SCHEMBL1632654 0.69 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL3645259 0.68 ALDH1A1 (0.64) MAPTMEN1KMT2AALDH1A1NPSR1

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
WO-2016164703-A1 FGFR4 INHIBITORS EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
WO-2016164703-A1 FGFR4 INHIBITORS EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
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