SCHEMBL11140262

SCHEMBL11140262

c1ccc(-c2ccccc2Sc2ncccn2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
LMNA P02545 4/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
P4HTM Q9NXG6 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL28087696 0.90 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5322670 0.83 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11198611 0.79 HSD17B10 (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31038172 0.78 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11605127 0.78 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1207426 0.78 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28087698 0.77 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10333796 0.76 PRKCI (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL858806 0.76 KDM4E (0.72) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7205198 0.74 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4371736-A Herbicidal pyridinyloxy(pyrimidinyloxy)benzenes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-02-01 US disclosed
EP-0061913-A2 Herbicidal heterooxybenzenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-10-06 EP disclosed