SCHEMBL9423332

SCHEMBL9423332

NC(=O)n1nc(-c2ccc(F)cc2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SCN4A P35499 2/20 0.47
▸ HTT P42858 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PARP1 P09874 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KLK3 P07288 4/20 0.41
▸ CA12 O43570 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ RPA1 P27694 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ IKBKB O14920 1/20 0.39

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
SCHEMBL9423275 0.83 SMN1; SMN2 (0.49) LMNASMN1; SMN2KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL9121751 0.83 SMN1; SMN2 (0.48) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL10112053 0.74 SMN1; SMN2 (0.59) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL4049437 0.74 SMN1; SMN2 (0.55) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL27139267 0.74 HDAC3 (0.53) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL5333233 0.70 HDAC3 (0.55) MAPTALDH1A1KDM4EHPGDHDAC1
SCHEMBL10103714 0.69 SMN1; SMN2 (0.54) LMNASMN1; SMN2KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL9124745 0.69 SMN1; SMN2 (0.47) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL9423191 0.69 PTGS1 (0.56) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL13737397 0.68 ALDH1A1 (0.78) LMNASMN1; SMN2KMT2AMEN1NPC1

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
US-5358947-A Treating hypertension, congestive heart failure AMERICAN CYANAMID COMPANY (US) 1994-10-25 — — US disclosed
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