SCHEMBL5754898

SCHEMBL5754898

Nc1cnn2ccc(NCCCn3ccnc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SOD1 P00441 3/20 0.45
ALOX15 P16050 1/20 0.43
QPCT Q16769 8/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
SCN9A Q15858 1/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5757871 0.79 MEN1 (0.36) NPC1RAB9AMEN1KMT2AMAPT
Ammonia Solution, Strong SCHEMBL5757458 0.79 CYP19A1 (0.48) RAB9AMEN1KMT2ATP53MAPT
SCHEMBL291484 0.77 QPCT (0.54) NPC1RAB9AATMMEN1KMT2A
Hydrochloric Acid SCHEMBL4396866 0.76 QPCT (0.53) NPC1RAB9AATMMEN1KMT2A
Hydrochloric Acid SCHEMBL19549172 0.76 QPCT (0.53) NPC1RAB9AATMMEN1KMT2A
SCHEMBL2539814 0.76 SOD1 (0.57) NPC1RAB9AATMMEN1KMT2A
SCHEMBL5903394 0.75 NPC1 (0.55) NPC1RAB9AATMMEN1KMT2A
Hydrochloric Acid SCHEMBL5191266 0.74 SOD1 (0.56) NPC1RAB9AATMMEN1KMT2A
SCHEMBL5837215 0.71 SOD1 (0.47) NPC1RAB9AATMMEN1KMT2A
SCHEMBL11495035 0.71 SOD1 (0.67) NPC1RAB9AATMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233743-B1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES OREAL (FR) 2006-02-15 EP claimed
EP-1233743-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES L'OREAL (FR) 2002-08-28 EP claimed
WO-2001035917-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES L'OREAL (FR) 2001-05-25 WO claimed
EP-1233743-B1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES OREAL (FR) 2006-02-15 EP disclosed
EP-1233743-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES L'OREAL (FR) 2002-08-28 EP disclosed
WO-2001035917-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES L'OREAL (FR) 2001-05-25 WO disclosed