SCHEMBL10817032

SCHEMBL10817032

Cc1ccc(C=C2Sc3ccccc3NC2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.67
PIM2 Q9P1W9 3/20 0.67
HPGD P15428 3/20 0.67
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
ALDH1A1 P00352 5/20 0.65
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
GAA P10253 3/20 0.65
MAPT P10636 3/20 0.65
LMNA P02545 1/20 0.65
HTT P42858 3/20 0.58
PIM3 Q86V86 1/20 0.55
POLB P06746 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
TTR P02766 1/20 0.49

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
SCHEMBL10817027 1.00 PIM1 (0.67) PIM1PIM2HPGDKMT2AMEN1
SCHEMBL8085252 0.88 PIM1 (0.67) PIM1PIM2HPGDKMT2AMEN1
SCHEMBL15571574 0.88 PIM1 (0.67) PIM1PIM2HPGDKMT2AMEN1
SCHEMBL8085249 0.88 PIM1 (0.67) PIM1PIM2HPGDKMT2AMEN1
SCHEMBL10805356 0.85 PIM1 (0.67) PIM1PIM2HPGDKMT2AMEN1
SCHEMBL10805360 0.85 PIM1 (0.67) PIM1PIM2HPGDKMT2AMEN1
SCHEMBL5746497 0.85 NPC1 (0.69) PIM1PIM2HPGDKMT2AMEN1
SCHEMBL5746504 0.85 NPC1 (0.69) PIM1PIM2HPGDKMT2AMEN1
SCHEMBL2545596 0.81 PIM1 (1.00) PIM1PIM2HPGDRAB9ANPC1
SCHEMBL2545594 0.81 PIM1 (1.00) PIM1PIM2HPGDRAB9ANPC1

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-0137083-B1 1,5-BENZOTHIAZEPINE DERIVATIVES AND PRODUCTION THEREOF HAMARI YAKUHIN KOGYO KABUSHIKI KAISHA also known as HAMARI CHEMICALS, LTD. (JP) 1987-06-24 EP disclosed
EP-0137083-A1 1,5-Benzothiazepine derivatives and production thereof HAMARI YAKUHIN KOGYO KABUSHIKI KAISHA also known as HAMARI CHEMICALS, LTD. (JP) 1985-04-17 EP disclosed
US-4490292-A 1,5-Benzothiazepine derivatives and production thereof HAMARI CHEMICALS, LTD. (JP) 1984-12-25 US disclosed