SCHEMBL9036375

SCHEMBL9036375

[CH2]CCCNc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
CDK2 P24941 1/20 0.45
FLT4 P35916 1/20 0.45
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
SPR P35270 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15055378 0.89 RAB9A (0.50) RAB9ACDK2FLT4LTA4HGAA
SCHEMBL4373879 0.81 KCNH3 (0.50) RAB9ACDK2FLT4LTA4HGAA
SCHEMBL4507702 0.81 LMNA (0.53) RAB9ACDK2FLT4ALDH1A1HDAC3
SCHEMBL21087536 0.81 CYP2A6 (0.50) RAB9ACDK2FLT4LTA4HALDH1A1
SCHEMBL7999576 0.81 HDAC3 (0.53) RAB9ACDK2FLT4LTA4HALDH1A1
SCHEMBL2103950 0.80
SCHEMBL215190 0.80 LMNA (0.55) RAB9ACDK2FLT4ALDH1A1L3MBTL1
SCHEMBL5604031 0.79 LMNA (0.57) RAB9ACDK2FLT4ALDH1A1L3MBTL1
SCHEMBL31066863 0.79 LMNA (0.57) RAB9ACDK2FLT4ALDH1A1L3MBTL1
SCHEMBL31066874 0.79 LMNA (0.57) RAB9ACDK2FLT4ALDH1A1L3MBTL1

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-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed