SCHEMBL9814052

SCHEMBL9814052

CNn1ccc(=O)c2cc(F)c(N3CCN(C)CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ GLA P06280 1/20 0.41

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
SCHEMBL4241160 0.80 DRD3 (0.60) KMT2AMEN1LMNAGAARAD52
SCHEMBL10963450 0.80 KMT2A (0.44) KMT2AMEN1LMNAGAARAD52
SCHEMBL14585956 0.79 ALDH1A1 (0.48) KMT2AMEN1LMNAGAARAD52
SCHEMBL16518624 0.76 ALDH1A1 (0.59) KMT2AMEN1LMNAGAARAD52
Amifloxacin SCHEMBL48001 0.75 ALDH1A1 (0.70) KMT2AMEN1LMNAGAARAD52
Amifloxacin SCHEMBL28198749 0.75 ALDH1A1 (0.70) KMT2AMEN1LMNAGAARAD52
Amifloxacin SCHEMBL29371634 0.75 ALDH1A1 (0.70) KMT2AMEN1LMNAGAARAD52
Amifloxacin SCHEMBL9788088 0.75 ALDH1A1 (0.69) KMT2AMEN1LMNAGAARAD52
SCHEMBL10921339 0.73 ALDH1A1 (0.55) KMT2AMEN1LMNAGAARAD52
Amifloxacin SCHEMBL193463 0.72 KDM4E (0.74) KMT2AMEN1LMNAGAARAD52

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-0169105-B1 CONTROLLED POROSITY OSMOTIC PUMP MERCK & CO. INC. (US) 1991-08-07 — — EP disclosed
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