SCHEMBL8590028

SCHEMBL8590028

O=C(Cl)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPP1CA P62136 3/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ RPA1 P27694 3/20 0.57
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MALT1 Q9UDY8 2/20 0.52
▸ MDM2 Q00987 4/20 0.51
▸ MCL1 Q07820 3/20 0.51
▸ BCL2 P10415 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MARS1 P56192 1/20 0.50
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CACNA1G O43497 1/20 0.47
▸ CACNA1H O95180 1/20 0.47
▸ MGLL Q99685 1/20 0.46

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
SCHEMBL8591058 0.89 RPA1 (0.73) PPP1CAL3MBTL1RPA1MEN1KMT2A
SCHEMBL27882807 0.76 RAB9A (0.71) L3MBTL1SMN1; SMN2CA1CA2CA9
SCHEMBL24157617 0.76 CYP2C9 (0.49) RPA1MEN1KMT2AMCL1SMN1; SMN2
SCHEMBL8591003 0.75 CACNA1G (0.55) PPP1CARPA1MEN1KMT2AMALT1
SCHEMBL8591001 0.75 CACNA1G (0.55) PPP1CARPA1MEN1KMT2AMALT1
SCHEMBL4500796 0.73 L3MBTL1 (1.00) PPP1CAL3MBTL1RPA1MEN1KMT2A
SCHEMBL695352 0.73 RPA1 (1.00) PPP1CAL3MBTL1RPA1MEN1KMT2A
SCHEMBL4093659 0.73 KDM4E (0.60) PPP1CAL3MBTL1RPA1MEN1KMT2A
SCHEMBL6457030 0.73 MARS1 (0.62) PPP1CAL3MBTL1RPA1MEN1KMT2A
SCHEMBL3851459 0.72 RAB9A (0.51) PPP1CAL3MBTL1RPA1MEN1KMT2A

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
US-5744493-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 — — US disclosed
US-5744491-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 — — US disclosed
US-5635526-A POSSESSES ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM OR THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1997-06-03 — — US disclosed
US-5607958-A NEUROTENSIN RECEPTOR BINDERS SANOFI (FR) 1997-03-04 — — US disclosed
US-5420141-A Capable of binding to neurotensin receptor SANOFI (FR) 1995-05-30 — — US disclosed
Send feedback