SCHEMBL14312654

SCHEMBL14312654

O=C(Nn1ccc2cccnc21)Oc1cnc(-c2ccccn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.39
▸ ENPP1 P22413 2/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ F2 P00734 3/20 0.38
▸ F12 P00748 3/20 0.38
▸ SLC22A12 Q96S37 5/20 0.38
▸ CYP2C19 P33261 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ PLAU P00749 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC22A6 Q4U2R8 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ ENPP3 O14638 2/20 0.35

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
SCHEMBL14312669 0.87 HPGDS (0.45) HPGDSF2F12PLAUNPC1
SCHEMBL14312671 0.85 HPGDS (0.46) HPGDSSLC22A12MAPTKMT2ASMN1; SMN2
SCHEMBL3222378 0.85 HPGDS (0.49) HPGDSENPP1PARP1F2F12
SCHEMBL14312890 0.81 SLC22A12 (0.37) HPGDSPARP1SLC22A12
SCHEMBL14313100 0.80 HPGDS (0.47) HPGDSF2F12MAPTRAB9A
SCHEMBL14313213 0.77 KDM4A (0.42) HPGDSABCG2
SCHEMBL3221680 0.77 HPGDS (0.63) HPGDSENPP1PARP1SLC22A12MTNR1A
SCHEMBL14313040 0.76 HPGDS (0.50) HPGDSF2F12KMT2A
SCHEMBL14313256 0.73 HPGDS (0.52) HPGDSMAPTKMT2ASMN1; SMN2
SCHEMBL14313022 0.73 HPGDS (0.45) HPGDSMAPTKMT2ASMN1; SMN2

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-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP claimed
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