SCHEMBL14313445

SCHEMBL14313445

Cc1nc(-c2ccccn2)ncc1OC(=O)Nn1ccc2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.54
▸ L3MBTL1 Q9Y468 7/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PPP1CA P62136 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ TRPM8 Q7Z2W7 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ KLKB1 P03952 1/20 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
SCHEMBL14313256 0.89 HPGDS (0.52) HPGDSL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14312952 0.88 HPGDS (0.50) HPGDSL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14313022 0.87 HPGDS (0.45) HPGDSL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14313100 0.87 HPGDS (0.47) HPGDSL3MBTL1KMT2AMAPTRAB9A
SCHEMBL14312953 0.86 HPGDS (0.73) HPGDSL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14313023 0.85 HPGDS (0.51) HPGDSL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14313255 0.85 HPGDS (0.42) HPGDSMAPTLMNA
SCHEMBL14312670 0.85 LMNA (0.39) HPGDSKMT2AMAPTLMNAF2
SCHEMBL12083843 0.84 HPGDS (0.74) HPGDSL3MBTL1KMT2AMEN1RAB9A
SCHEMBL14313311 0.84 HPGDS (0.47) HPGDSL3MBTL1SMN1; SMN2ALDH1A1KMT2A

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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