SCHEMBL7952997

SCHEMBL7952997

CCCCCCOc1ccccc1NC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
BRD4 O60885 1/20 0.60
PTPN1 P18031 3/20 0.59
EBP Q15125 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
POLB P06746 2/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
NR1I2 O75469 1/20 0.56
CHRM2 P08172 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADRA2A P08913 1/20 0.56
OPRK1 P41145 1/20 0.56
HTR2B P41595 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL11482525 1.00 KMT2A (0.64) KMT2ALMNASMN1; SMN2BRD4PTPN1
SCHEMBL14625066 1.00 KMT2A (0.64) KMT2ALMNASMN1; SMN2BRD4PTPN1
SCHEMBL248401 0.98 KMT2A (0.66) KMT2ALMNASMN1; SMN2BRD4PTPN1
SCHEMBL7956544 0.94 KMT2A (0.72) KMT2ALMNASMN1; SMN2BRD4PTPN1
SCHEMBL9570675 0.94 LMNA (0.67) KMT2ALMNASMN1; SMN2BRD4PTPN1
SCHEMBL9570553 0.94 LMNA (0.67) KMT2ALMNASMN1; SMN2BRD4PTPN1
SCHEMBL7959649 0.89 RAB9A (0.67) KMT2ALMNASMN1; SMN2BRD4POLB
SCHEMBL8930342 0.88 MAPT (0.64) KMT2ALMNAPTPN1EBPSIGMAR1
SCHEMBL11546122 0.87 LMNA (0.75) KMT2ALMNASMN1; SMN2BRD4POLB
SCHEMBL7952996 0.87 KMT2A (0.59) KMT2ALMNAPTPN1EBPSIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed