SCHEMBL27945346

SCHEMBL27945346

O=C(O)N[C](c1ccccc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPC1 O15118 2/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
POLB P06746 1/20 0.46
ELANE P08246 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.43
ATM Q13315 1/20 0.43
P2RX7 Q99572 2/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL27673919 0.95 ATM (0.48) HPGDRAB9ASMN1; SMN2GAAHTT
SCHEMBL27677506 0.83 KMT2A (0.45) GAALMNA
SCHEMBL27947005 0.77 KMT2A (0.43)
SCHEMBL4266412 0.75 KCNK3 (0.61) HPGDRAB9ASMN1; SMN2GAAHTT
SCHEMBL33443 0.75 SRD5A2 (0.67) HPGDRAB9AKCNK3KCNK9POLB
SCHEMBL1427963 0.75 SRD5A2 (0.67) HPGDRAB9AKCNK3KCNK9POLB
SCHEMBL15155929 0.75 SRD5A2 (0.67) HPGDRAB9AKCNK3KCNK9POLB
Bicarbonate SCHEMBL6612782 0.73 SRD5A2 (0.65) HPGDRAB9AKCNK3KCNK9POLB
SCHEMBL965420 0.72 SRD5A2 (0.63) HPGDPOLBELANE
SCHEMBL28535957 0.72 RAB9A (0.56) HPGDRAB9ASMN1; SMN2GAAHTT

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
CN-103384672-A N-substituted oxazinopteridines and oxazinopteridinones TAKAEDA CHEMICAL IND LTD 2013-11-06 CN disclosed