SCHEMBL9178647

SCHEMBL9178647

N=C(N)NCCC[C@H](NC(=O)CNC(=O)CCNC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL2567001 0.89 PDF (0.48) MAPTMEN1KMT2AALDH1A1HDAC3
SCHEMBL591280 0.88 NPC1 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2936175 0.88 NPC1 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL701212 0.88 NPC1 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8002080 0.88 NPC1 (0.42) MAPTMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL10768387 0.87 NPC1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL2044745 0.87 NPC1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL593062 0.87 NPC1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1517668 0.86 NPC1 (0.41) MEN1KMT2ANPC1RAB9AMITF
Hydrochloric Acid SCHEMBL5847438 0.86 NPC1 (0.40) MEN1KMT2ANPC1RAB9AMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5427931-A Useful in the treatment and detection of Alzheimer's disease THEN REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-06-27 US disclosed
EP-0527823-A4 1994-04-06 EP disclosed
US-5270165-A Diagnosing Alzheimer's disease THE REAGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-12-14 US disclosed
EP-0527823-A1 PURIFICATION, DETECTION AND METHODS OF USE OF PROTEASE NEXIN-2 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-02-24 EP disclosed