SCHEMBL6591671

SCHEMBL6591671

CN1CCN(c2cc(C(=O)O)nc3c(O)cccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 3/20 0.48
NCF1 P14598 3/20 0.46
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
PIK3CA P42336 5/20 0.43
MEN1 O00255 2/20 0.42
METAP1 P53582 1/20 0.42
HTR6 P50406 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.41
CDK2 P24941 1/20 0.41
PRKCZ Q05513 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
HIF1AN Q9NWT6 1/20 0.39
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL6079508 0.99 KDM4A (0.47) KDM4ANCF1KMT2AKDM4EPIK3CA
SCHEMBL6604563 0.87 KDM4E (0.46) KDM4ANCF1KMT2AKDM4EPIK3CA
SCHEMBL6079777 0.87 KDM4E (0.47) KDM4ANCF1KMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL6079350 0.86 KDM4E (0.44) KDM4ANCF1KMT2AKDM4EPIK3CA
SCHEMBL6599066 0.85 PIK3CA (0.52) KDM4ANCF1PIK3CAPKM
SCHEMBL6605079 0.85 KDM4E (0.47) NCF1KMT2AKDM4EHTR6ALDH1A1
Hydrochloric Acid SCHEMBL6080168 0.84 HTR6 (0.45) KDM4ANCF1KMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL6080507 0.84 KDM4E (0.46) NCF1KMT2AKDM4EMEN1HTR6
SCHEMBL27472343 0.82 NCF1 (0.47) NCF1KMT2AMEN1METAP1USP2
Hydrochloric Acid SCHEMBL6641278 0.81 NCF1 (0.46) NCF1KMT2AMEN1METAP1USP2

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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed