SCHEMBL7830462

SCHEMBL7830462

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 1/20 0.49
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.40
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL7816728 0.82 HDAC3 (0.47) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL9325465 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL18457436 0.80 MEN1 (0.55) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL11572252 0.79 MEN1 (0.53) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL7829210 0.77 TP53 (0.59) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL7829213 0.77 TP53 (0.59) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL7827581 0.76 KMT2A (0.46) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL294596 0.71 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL10099720 0.71 MEN1 (0.62) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL8725847 0.71 ADRA2C (0.55) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9

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