SCHEMBL11245650

SCHEMBL11245650

CCOC(=O)Oc1ccccc1-c1nc(=O)c2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.46
GUSB P08236 1/20 0.46
TYMS P04818 1/20 0.44
KDM4E B2RXH2 6/20 0.43
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 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
SCHEMBL3722376 0.79 PDE5A (0.58) PDE5AGUSBKDM4EPARP1ALDH1A1
SCHEMBL1960366 0.75 TYMS (0.51) TYMSALDH1A1MAPTMEN1KMT2A
SCHEMBL1368260 0.72 KDM4E (0.57) PDE5AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL29582392 0.72 KDM4E (0.57) PDE5AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL7674037 0.72 FGFR1 (0.52) PDE5AGUSBKDM4EPARP1ALDH1A1
SCHEMBL31722934 0.71 KDM4E (0.59) PDE5AGUSBKDM4EALDH1A1MAPT
SCHEMBL3111166 0.71 KDM4E (0.59) PDE5AGUSBKDM4EALDH1A1MAPT
SCHEMBL6887071 0.70 ALDH1A1 (0.52) KDM4EPARP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8516383 0.70 TSHR (0.52) TYMSKDM4EALDH1A1MAPTMEN1
SCHEMBL1839147 0.70 L3MBTL1 (0.49) TYMSKDM4EALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4324682-A PRESSURE RUPTURABLE; FOR MARKING AND IDENTIFICATION AMERICAN CYANAMID COMPANY (US) 1982-04-13 US disclosed
US-4219438-A Composition for marking and identification purposes AMERICAN CYANAMID COMPANY (US) 1980-08-26 US disclosed
US-3960755-A Detecting compositions and method of using same AMERICAN CYANAMID COMPANY (US) 1976-06-01 US disclosed