SCHEMBL7515816

SCHEMBL7515816

CC(O)=C(C#N)C(=O)Nc1c[c]ccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 13/20 0.61
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ BTK Q06187 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PLK3 Q9H4B4 1/20 0.47
▸ G6PD P11413 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44

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
SCHEMBL7515812 1.00 DHODH (0.61) DHODHMEN1KMT2AALDH1A1CYP1A2
SCHEMBL3250475 0.84 DHODH (0.82) DHODHMEN1KMT2AALDH1A1CYP1A2
SCHEMBL3250476 0.84 DHODH (0.82) DHODHMEN1KMT2AALDH1A1CYP1A2
SCHEMBL5914902 0.84 DHODH (0.82) DHODHMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7517127 0.81 DHODH (0.68) DHODHMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7517125 0.81 DHODH (0.68) DHODHMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6313989 0.77 GPR35 (0.57) MEN1KMT2ATSHR
SCHEMBL9079477 0.76 DHODH (0.74) DHODHMEN1KMT2AALDH1A1CYP1A2
SCHEMBL3911427 0.76 TDP1 (0.54) KMT2AALDH1A1GAALMNABLM
SCHEMBL8810371 0.76 DHODH (0.74) DHODHMEN1KMT2AALDH1A1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832073-B1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS SUGEN INC (US) 2002-01-16 — — EP claimed
EP-0832073-A1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS Sugen, Inc. (US) 1998-04-01 — — EP claimed
WO-1996040648-A1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS SUGEN, INC. (US) 1996-12-19 — — WO claimed
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