SCHEMBL6984088

SCHEMBL6984088

O=C(NCc1cnc[nH]1)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ITGB2 P05107 2/20 0.48
ICAM1 P05362 2/20 0.48
ITGAL P20701 2/20 0.48
GAA P10253 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MAPK7 Q13164 1/20 0.45
MAPK14 Q16539 1/20 0.45
HTT P42858 1/20 0.44
NTRK1 P04629 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL6981160 0.83 PTGES (0.49) MEN1KMT2AGAATAAR1CYP3A4
SCHEMBL31188605 0.80 TAAR1 (0.55) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL6987102 0.73 USP2 (0.72) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL12181631 0.72 ALDH1A1 (0.74) RAB9AHPGDSMN1; SMN2NPC1POLB
SCHEMBL6987138 0.72 KDM1A (0.51)
SCHEMBL6987133 0.70 POLB (0.55) POLBALDH1A1
SCHEMBL15686617 0.70 KMT2A (0.74) RAB9AHPGDSMN1; SMN2NPC1POLB
SCHEMBL27660007 0.70 HPGD (0.69) RAB9AHPGDSMN1; SMN2NPC1POLB
SCHEMBL15038304 0.69 NPC1 (0.70) RAB9AHPGDSMN1; SMN2NPC1POLB
SCHEMBL11374347 0.69 NPC1 (0.60) RAB9AHPGDSMN1; SMN2NPC1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 WO disclosed