SCHEMBL7110573

SCHEMBL7110573

COCCNC(=O)c1cnc(C(=O)NCCOC)cn1.O=C(NCCOCCO)c1cnc(C(=O)NCCOCCO)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.47
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.46
ATG4B Q9Y4P1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL7107993 0.94 SMN1; SMN2 (0.46) HPGDALDH1A1RECQLATG4BSMN1; SMN2
SCHEMBL30145626 0.90 SMN1; SMN2 (0.47) HPGDALDH1A1RECQLSMN1; SMN2MEN1
SCHEMBL7105040 0.90 HPGD (0.54) HPGDALDH1A1RECQLSMN1; SMN2MEN1
SCHEMBL28945656 0.84 SIRT6 (0.46) HPGDALDH1A1RECQLSMN1; SMN2KMT2A
SCHEMBL27730675 0.83 SIRT6 (0.51) HPGDALDH1A1RECQLMEN1KMT2A
SCHEMBL17008547 0.81 NPC1 (0.47) HPGDALDH1A1RECQLRAB9ANPC1
SCHEMBL31086788 0.81 NPC1 (0.47) HPGDALDH1A1RECQLRAB9ANPC1
SCHEMBL28578424 0.76 KDM4E (0.64) HPGDSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL31086597 0.76 KDM4E (0.64) HPGDSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL7109278 0.76 LMNA (0.41) HPGDALDH1A1SMN1; SMN2RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 EP claimed