SCHEMBL9036100

SCHEMBL9036100

[CH2]CCCCCn1cnc(CCCCC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.38
TBXAS1 P24557 1/20 0.33
SMPD1 P17405 4/20 0.31
TLR8 Q9NR97 2/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
MGLL Q99685 2/20 0.31
KCNH2 Q12809 1/20 0.31
FAAH O00519 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP3A4 P08684 1/20 0.30
G6PD P11413 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL27573009 0.92 KDR (0.42) KDRTBXAS1SMPD1TLR8PTGS1
SCHEMBL1229601 0.91 KDR (0.40) KDRTBXAS1SMPD1TLR8PTGS1
SCHEMBL1011975 0.81 KDR (0.36) KDRTBXAS1TLR8KCNH2HRH4
SCHEMBL1011560 0.81 KDR (0.36) KDRTBXAS1TLR8KCNH2HRH4
SCHEMBL21634161 0.79 KDR (0.36) KDRKCNH2
SCHEMBL21634173 0.78 LMNA (0.39) KDR
SCHEMBL23578174 0.78 KDR (0.41) KDRTBXAS1SMPD1TLR8PTGS1
SCHEMBL23578243 0.78 KDR (0.44) KDRTBXAS1SMPD1PTGS1PTGS2
SCHEMBL28824665 0.78 HTR2A (0.38) KDRTBXAS1KCNH2ALDH1A1HPGD
SCHEMBL28953187 0.74 KDR (0.43) KDRTBXAS1SMPD1TLR8PTGS1

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