SCHEMBL9380406

SCHEMBL9380406

CCCCc1ccc(N2N=C(Cc3ncc[nH]3)CC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 1/20 0.45
▸ KAT2B Q92831 2/20 0.37
▸ TAAR1 Q96RJ0 3/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NISCH Q9Y2I1 1/20 0.33
▸ PTH1R Q03431 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ POLA1 P09884 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL9379615 0.89 SHMT2 (0.49) SHMT2TAAR1HTR1AMEN1KMT2A
SCHEMBL9378626 0.87 SHMT2 (0.45) SHMT2TAAR1HTR1AMEN1KMT2A
SCHEMBL9378209 0.85 SHMT2 (0.46) SHMT2TAAR1HTR1AMEN1KMT2A
SCHEMBL9379481 0.82 SHMT2 (0.56) SHMT2TAAR1HTR1AMEN1KMT2A
SCHEMBL9385358 0.82 GAA (0.45) SHMT2TAAR1HTR1AMEN1KMT2A
SCHEMBL9378235 0.81 SHMT2 (0.42) SHMT2TAAR1HTR1AMEN1KMT2A
SCHEMBL9379889 0.81 KMT2A (0.49) SHMT2TAAR1HTR1AMEN1KMT2A
SCHEMBL9379697 0.81 SHMT2 (0.42) SHMT2TAAR1HTR1AMEN1KMT2A
SCHEMBL9379666 0.81 GAA (0.43) SHMT2TAAR1MEN1KMT2AGAA
SCHEMBL9378519 0.81 GAA (0.57) SHMT2TAAR1HTR1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269030-B1 Lipid-peroxide formation inhibiting composition and novel compounds useful therefor MITSUBISHI CHEM IND (JP) 1994-05-04 — — EP disclosed
US-5089515-A Antiischemic agents; pyrazolone compounds MITSUBISHI KASEI CORPORATION (JP) 1992-02-18 — — US disclosed
US-4990619-A Cardiovascular disorders, antiischemic agents MITSUBISHI KASEI CORPORATION (JP) 1991-02-05 — — US disclosed
US-4906644-A Lipid-peroxide formation inhibiting composition and novel compounds useful therefor MITSUBISHI KASEI CORPORATION (JP) 1990-03-06 — — US disclosed
EP-0269030-A2 Lipid-peroxide formation inhibiting composition and novel compounds useful therefor MITSUBISHI KASEI CORPORATION (JP) 1988-06-01 — — EP disclosed
Send feedback