SCHEMBL7287690

SCHEMBL7287690

N=C(N)Nc1ccc(C(=O)ON2C(=O)C3C4C=CC(C4)C3C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
HTT P42858 4/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 9/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 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
Hydrochloric Acid SCHEMBL7287898 0.99 HPGD (0.52) HPGDHTTTSHRALDH1A1POLB
SCHEMBL7183170 0.84 ALDH1A1 (0.50) HPGDHTTALDH1A1POLBRAB9A
SCHEMBL13700552 0.81 HPGD (0.47) HPGDHTTALDH1A1POLBRAB9A
SCHEMBL7327634 0.78 HPGD (0.46) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL9715221 0.77 HPGD (0.45) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7178769 0.76 ALDH1A1 (0.50) HPGDHTTTSHRALDH1A1RAB9A
SCHEMBL13700576 0.74 ALDH1A1 (0.49) HPGDHTTTSHRALDH1A1POLB
SCHEMBL31143731 0.72 KMT2A (0.46) HPGDALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL13700603 0.72 NAMPT (0.43) HPGDALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL13979936 0.72 ALDH1A1 (0.55) HPGDHTTTSHRALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822931-B1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-03-27 EP disclosed
US-6020334-A Piperazinones, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
US-5935963-A (4-GUANIDINOBENZOYLAMINO)ACETYL-3-(3-(4-GUANIDINOBENZOYLAMINO) PROPYL)-2-OXOPIPERAZINE-1-ACETIC ACID OR A SALT; CONTROLLING OR INHIBITING CELL-ADHESION; PLATELET ANTIAGGREGATION WITHOUT LONG HEMORRHAGING; ANTIICHEMIC AGENTS; ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1999-08-10 US disclosed
US-5876756-A SUSTAINED RELEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-02 US disclosed
EP-0822931-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed
EP-0765660-A2 Microcapsules comprising 2-piperazinone-1-acetic acid compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-02 EP disclosed
EP-0750913-A2 Disaccharide containing freeze-dried preparation for pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-02 EP disclosed
WO-1996033982-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed