SCHEMBL6204477

SCHEMBL6204477

N=C(N)c1ccc([CH]Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.54
F10 P00742 2/20 0.54
F12 P00748 1/20 0.54
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
PKM P14618 1/20 0.54
PRMT5 O14744 1/20 0.53
PRMT1 Q99873 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
BLM P54132 1/20 0.52
WDR5 P61964 1/20 0.52
PRSS1 P07477 4/20 0.50
PRSS2 P07478 4/20 0.50
PRSS3 P35030 4/20 0.50
C1S P09871 2/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6180083 0.93 F2 (0.54) F2F10F12F7F3
SCHEMBL1468321 0.90 PRMT5 (0.59) F2F10PRMT5PRMT1ALDH1A1
SCHEMBL69726 0.77 MAOB (0.57) ALDH1A1HPGDHSD17B10LOXL2
SCHEMBL28457429 0.76 LMNA (0.59) ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2528043 0.76 TAAR1 (0.50) PKMALDH1A1CYP2C19BLMRECQL
SCHEMBL428473 0.76 PRMT1 (0.83) F2F10F12F7F3
SCHEMBL8366101 0.76 MAOB (0.52) PKMALDH1A1CYP2C19HSD17B10KMT2A
SCHEMBL428474 0.76 PRMT1 (0.83) F2F10F12F7F3
SCHEMBL27680541 0.76 PRSS1 (0.69) F2F10F12F7F3
SCHEMBL6207335 0.76 PRMT5 (0.61) F2F10F12F7F3

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
EP-1539762-A2 BICYCLIC PYRIMIDINONES AS COAGULATION CASCADE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
WO-2004002406-A2 BICYCLIC PYRIMIDINONES AS COAGULATION CASCADE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-08 WO disclosed