SCHEMBL7827581

SCHEMBL7827581

[CH]=CC(=O)N(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
FAAH O00519 1/20 0.44
PHGDH O43175 1/20 0.44
MGLL Q99685 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
POLQ O75417 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL11399712 0.81 KMT2A (0.47) KMT2APOLBKDM4EFAAHPHGDH
SCHEMBL1185399 0.81 KMT2A (0.47) KMT2APOLBKDM4EFAAHPHGDH
SCHEMBL319608 0.79 KMT2A (0.46) KMT2APOLBKDM4EFAAHPHGDH
SCHEMBL10157108 0.78 HTT (0.45) KMT2APOLBKDM4EFAAHPHGDH
SCHEMBL10438892 0.78 KMT2A (0.44) KMT2APOLBKDM4EFAAHPHGDH
SCHEMBL5175922 0.78 LMNA (0.49) KMT2APOLBKDM4EFAAHPHGDH
SCHEMBL5175667 0.78 LMNA (0.49) KMT2APOLBKDM4EFAAHPHGDH
SCHEMBL4022487 0.78 LMNA (0.49) KMT2APOLBKDM4EFAAHPHGDH
SCHEMBL5175912 0.78 LMNA (0.49) KMT2APOLBKDM4EFAAHPHGDH
SCHEMBL5175660 0.78 LMNA (0.49) KMT2APOLBKDM4EFAAHPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed