SCHEMBL9230563

SCHEMBL9230563

CCCN(C#N)C(=N)Nc1ccc(/C=C/CC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.41
MAOB P27338 2/20 0.39
RORC P51449 4/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAOA P21397 1/20 0.34
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL9229411 0.92 PAM (0.42) PAMMAOBALDH1A1HPGDMAOA
SCHEMBL9232304 0.84 PAM (0.44) PAMMAOBALDH1A1HPGDMAOA
SCHEMBL9233464 0.81 PAM (0.41) PAMMAOBALDH1A1HPGDMAOA
SCHEMBL8828415 0.72 PAM (0.58) PAMMAOBALDH1A1MEN1MAPT
SCHEMBL8828409 0.72 PAM (0.58) PAMMAOBALDH1A1MEN1MAPT
SCHEMBL9212612 0.72 KMT2A (0.56) PAMMAOBALDH1A1MEN1MAPT
SCHEMBL9213200 0.71 KDM4C (0.49) PAMMAOBALDH1A1MEN1MAPT
SCHEMBL9213867 0.70 PAM (0.54) PAMMAOBALDH1A1MAOAMEN1
SCHEMBL9282635 0.70 PAM (0.44) PAMMAOBALDH1A1HPGDMAOA
SCHEMBL9210792 0.68 PAM (0.51) PAMMAOBALDH1A1HPGDMEN1

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-0633248-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1995-01-11 EP disclosed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP disclosed
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 EP disclosed